Sugi Predict

Sugi Predict / Compounds / SCHEMBL9924604

SCHEMBL9924604

SCHEMBL9924604

Cc1cn(-c2cnc(C(C)(C)C)cn2)cn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PSEN1 P49768 7/20 0.40
▸ PSEN2 P49810 7/20 0.40
▸ APH1B Q8WW43 7/20 0.40
▸ NCSTN Q92542 7/20 0.40
▸ APH1A Q96BI3 7/20 0.40
▸ PSENEN Q9NZ42 7/20 0.40
▸ CYP2E1 P05181 1/20 0.39
▸ CYP2A6 P11509 1/20 0.39
▸ NR2E1 Q9Y466 2/20 0.35
▸ PTK2 Q05397 1/20 0.34
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CYP19A1 P11511 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ SYK P43405 1/20 0.33
▸ EGLN2 Q96KS0 1/20 0.31
▸ PDE4A P27815 1/20 0.31
▸ PDE4B Q07343 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL22199079 0.85 NR2E1 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL9925915 0.80 CYP2E1 (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL19216376 0.75 CYP2E1 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL12186837 0.75 CYP2E1 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL22199084 0.75 CYP2E1 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL10220877 0.75 PSEN1 (0.37) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL17974751 0.75 — —
SCHEMBL9924601 0.74 — —
SCHEMBL9925940 0.74 CYP1A2 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL10183397 0.73 KDM4E (0.46) PSEN1PSEN2APH1BNCSTNAPH1A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11541059-B2 Heterocyclic compounds and uses thereof INFINITY PHARMACEUTICALS, INC. (US) 2023-01-03 — — US disclosed
US-20210000837-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF TWELVE THERAPEUTICS, INC. 2021-01-07 — — US disclosed
US-10675286-B2 Heterocyclic compounds and uses thereof INFINITY PHARMACEUTICALS, INC. (US) 2020-06-09 — — US disclosed
US-10329299-B2 Heterocyclic compounds and uses thereof INFINITY PHARMACEUTICALS, INC. (US) 2019-06-25 — — US disclosed
US-20180055852-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF TWELVE THERAPEUTICS, INC. 2018-03-01 — — US disclosed
US-20180055852-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF TWELVE THERAPEUTICS, INC. 2018-03-01 — — US disclosed
US-20180044346-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF TWELVE THERAPEUTICS, INC. 2018-02-15 — — US disclosed
US-20180044346-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF TWELVE THERAPEUTICS, INC. 2018-02-15 — — US disclosed
US-9828377-B2 Heterocyclic compounds and uses thereof INFINITY PHARMACEUTICALS, INC. (US) 2017-11-28 — — US disclosed
US-9828377-B2 Heterocyclic compounds and uses thereof INFINITY PHARMACEUTICALS, INC. (US) 2017-11-28 — — US disclosed
US-20160031886-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE LLC 2016-02-04 — — US disclosed
US-20150290207-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF TWELVE THERAPEUTICS, INC. 2015-10-15 — — US disclosed
US-20150225410-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF TWELVE THERAPEUTICS, INC. 2015-08-13 — — US disclosed
US-20150111874-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF TWELVE THERAPEUTICS, INC. 2015-04-23 — — US disclosed
US-20150105385-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF TWELVE THERAPEUTICS, INC. 2015-04-16 — — US disclosed
US-8940742-B2 Heterocyclic compounds and uses thereof INFINITY PHARMACEUTICALS, INC. (US) 2015-01-27 — — US disclosed
US-20140377258-A1 Treatment Of Cancers Using PI3 Kinase Isoform Modulators INFINITY PHARMACEUTICALS, INC. (US) 2014-12-25 — — US disclosed
US-20140350248-A1 CHEMICAL ENTITIES AND THERAPEUTIC USES THEREOF Intellikine, LLC. (US) 2014-11-27 — — US disclosed
US-20130267521-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INTELLIKINE LLC (US) 2013-10-10 — — US disclosed
US-20120149701-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE, INC. 2012-06-14 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (15 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-10675286-B2 Heterocyclic compounds and uses thereof PIK3CA, PIK3CD, PIK3CB PSEN1 1770/4885PSEN2 1535/4885APH1B 1640/4885
US-20140350248-A1 CHEMICAL ENTITIES AND THERAPEUTIC USES THEREOF PIK3CA, PIK3CB, PIK3C3 PSEN1 1561/4885PSEN2 1150/4885APH1B 2246/4885
US-20140377258-A1 Treatment Of Cancers Using PI3 Kinase Isoform Modulators PIK3CA, MCL1, PIK3CB PSEN1 4434/4885PSEN2 4378/4885APH1B 3985/4885
US-20150105385-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB PSEN1 1770/4885PSEN2 1535/4885APH1B 1640/4885
US-10329299-B2 Heterocyclic compounds and uses thereof PIK3CA, AKT1, AKT2 PSEN1 2308/4885PSEN2 1998/4885APH1B 1457/4885
US-11541059-B2 Heterocyclic compounds and uses thereof PIK3CA, PIK3CD, PIK3CB PSEN1 1770/4885PSEN2 1535/4885APH1B 1640/4885
US-20150290207-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB PSEN1 1770/4885PSEN2 1535/4885APH1B 1640/4885
US-20150225410-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB PSEN1 1770/4885PSEN2 1535/4885APH1B 1640/4885
US-20120149701-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS PIK3CA, AKT3, PIK3C2A PSEN1 597/4885PSEN2 569/4885APH1B 1743/4885
US-20210000837-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB PSEN1 1770/4885PSEN2 1535/4885APH1B 1640/4885
US-20130267521-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB PSEN1 1770/4885PSEN2 1535/4885APH1B 1640/4885
US-20180055852-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB PSEN1 1770/4885PSEN2 1535/4885APH1B 1640/4885
US-20160031886-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS PIK3CA, PIK3CG, PIK3CB PSEN1 1386/4885PSEN2 901/4885APH1B 2529/4885
US-20150111874-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB PSEN1 1770/4885PSEN2 1535/4885APH1B 1640/4885
US-20180044346-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB PSEN1 1770/4885PSEN2 1535/4885APH1B 1640/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.