SCHEMBL9924602

SCHEMBL9924602

CC(C)(C)c1cnc(-n2ccnc2)cn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.37
CYP3A4 P08684 9/20 0.37
CYP2D6 P10635 8/20 0.37
CYP1A2 P05177 7/20 0.37
TDP1 Q9NUW8 5/20 0.37
HSD17B10 Q99714 4/20 0.37
LMNA P02545 3/20 0.37
ALDH1A1 P00352 2/20 0.37
MAPK1 P28482 1/20 0.37
PIM1 P11309 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.36
CYP2C19 P33261 6/20 0.36
ALOX15 P16050 3/20 0.36
TSHR P16473 1/20 0.36
CLK4 Q9HAZ1 1/20 0.36
CYP2A6 P11509 1/20 0.36
MAPT P10636 2/20 0.35
CYP2C9 P11712 3/20 0.35
KMT2A Q03164 1/20 0.35
EGLN2 Q96KS0 1/20 0.35

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
SCHEMBL19413080 0.84 LOXL2 (0.37) LOXL2CYP3A4CYP2D6CYP1A2TDP1
SCHEMBL9924601 0.78
SCHEMBL2629369 0.77 CYP3A4 (0.42) LOXL2CYP3A4CYP2D6CYP1A2TDP1
SCHEMBL15306644 0.76 CD38 (0.39) LOXL2CYP3A4CYP2D6CYP1A2TDP1
SCHEMBL136511 0.75 LOXL2 (0.42) LOXL2CYP3A4CYP2D6CYP1A2TDP1
SCHEMBL25144382 0.75 LOXL2 (0.43) LOXL2CYP3A4CYP2D6CYP1A2TDP1
SCHEMBL9253861 0.75 CYP3A4 (0.43) LOXL2CYP3A4CYP2D6CYP1A2TDP1
SCHEMBL22601581 0.75 CYP3A4 (0.50) CYP3A4CYP2D6CYP1A2LMNACYP2C19
SCHEMBL10220866 0.75 CYP1A2 (0.50) LOXL2CYP3A4CYP2D6CYP1A2TDP1
SCHEMBL12470705 0.74 LOXL2 (0.47) LOXL2CYP3A4CYP2D6CYP1A2TDP1

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 LOXL2 1643/4885CYP3A4 1656/4885CYP2D6 2681/4885
US-20140350248-A1 CHEMICAL ENTITIES AND THERAPEUTIC USES THEREOF PIK3CA, PIK3CB, PIK3C3 LOXL2 1859/4885CYP3A4 3027/4885CYP2D6 3823/4885
US-20140377258-A1 Treatment Of Cancers Using PI3 Kinase Isoform Modulators PIK3CA, MCL1, PIK3CB LOXL2 2917/4885CYP3A4 2491/4885CYP2D6 2664/4885
US-20150105385-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB LOXL2 1643/4885CYP3A4 1656/4885CYP2D6 2681/4885
US-10329299-B2 Heterocyclic compounds and uses thereof PIK3CA, AKT1, AKT2 LOXL2 1748/4885CYP3A4 1037/4885CYP2D6 1153/4885
US-11541059-B2 Heterocyclic compounds and uses thereof PIK3CA, PIK3CD, PIK3CB LOXL2 1643/4885CYP3A4 1656/4885CYP2D6 2681/4885
US-20150290207-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB LOXL2 1643/4885CYP3A4 1656/4885CYP2D6 2681/4885
US-20150225410-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB LOXL2 1643/4885CYP3A4 1656/4885CYP2D6 2681/4885
US-20120149701-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS PIK3CA, AKT3, PIK3C2A LOXL2 3335/4885CYP3A4 1925/4885CYP2D6 3214/4885
US-20210000837-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB LOXL2 1643/4885CYP3A4 1656/4885CYP2D6 2681/4885
US-20130267521-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB LOXL2 1643/4885CYP3A4 1656/4885CYP2D6 2681/4885
US-20180055852-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB LOXL2 1643/4885CYP3A4 1656/4885CYP2D6 2681/4885
US-20160031886-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS PIK3CA, PIK3CG, PIK3CB LOXL2 1708/4885CYP3A4 1611/4885CYP2D6 2766/4885
US-20150111874-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB LOXL2 1643/4885CYP3A4 1656/4885CYP2D6 2681/4885
US-20180044346-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB LOXL2 1643/4885CYP3A4 1656/4885CYP2D6 2681/4885

“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.