Sugi Predict

Sugi Predict / Compounds / SCHEMBL3699543

SCHEMBL3699543

SCHEMBL3699543

COc1ccc(Cn2cnc3c(NC(C)c4cc5cccc(Cl)c5c(C=O)n4)ncnc32)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 1/20 0.44
▸ HDAC6 Q9UBN7 1/20 0.44
▸ YTHDC1 Q96MU7 4/20 0.42
▸ HPGD P15428 2/20 0.41
▸ CCNB2 O95067 1/20 0.39
▸ CDK1 P06493 1/20 0.39
▸ CCNB1 P14635 1/20 0.39
▸ CCNB3 Q8WWL7 1/20 0.39
▸ MAPK1 P28482 2/20 0.38
▸ NR3C1 P04150 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ MITF O75030 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ CTSL P07711 2/20 0.38
▸ SLC29A1 Q99808 1/20 0.38

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
SCHEMBL3699542 1.00 HDAC1 (0.44) HDAC1HDAC6YTHDC1HPGDCCNB2
SCHEMBL3696079 0.92 HDAC1 (0.43) HDAC1HDAC6YTHDC1HPGDCCNB2
SCHEMBL3696084 0.92 HDAC1 (0.43) HDAC1HDAC6YTHDC1HPGDCCNB2
SCHEMBL3697012 0.90 HDAC1 (0.43) HDAC1HDAC6YTHDC1HPGDCCNB2
SCHEMBL3697016 0.90 HDAC1 (0.43) HDAC1HDAC6YTHDC1HPGDCCNB2
SCHEMBL3697009 0.90 HDAC1 (0.43) HDAC1HDAC6YTHDC1HPGDCCNB2
SCHEMBL3697014 0.90 HDAC1 (0.43) HDAC1HDAC6YTHDC1HPGDCCNB2
SCHEMBL3702160 0.90 HDAC1 (0.46) HDAC1HDAC6YTHDC1HPGDCCNB2
SCHEMBL3702155 0.90 HDAC1 (0.46) HDAC1HDAC6YTHDC1HPGDCCNB2
SCHEMBL3698127 0.89 HDAC1 (0.45) HDAC1HDAC6YTHDC1HPGDCCNB2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9388183-B2 Heterocyclic compounds and uses thereof INFINITY PHARMACEUTICALS, INC. (US) 2016-07-12 — — US disclosed
US-20150031672-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INFINITY PHARMACEUTICALS, INC. 2015-01-29 — — US disclosed
US-8901133-B2 Heterocyclic compounds and uses thereof INFINITY PHARMACEUTICALS, INC. (US) 2014-12-02 — — US disclosed
EP-2637669-A2 HETEROCYCLIC COMPOUNDS AND USES THEREOF Infinity Pharmaceuticals, Inc. (US) 2013-09-18 — — EP disclosed
WO-2012064973-A2 HETEROCYCLIC COMPOUNDS AND USES THEREOF INFINITY PHARMACEUTICALS, INC. (US) 2012-05-18 — — WO disclosed
US-20120122838-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INFINITY PHARMACEUTICALS, INC. 2012-05-17 — — 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 (2 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-20150031672-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB HDAC1 440/4885HDAC6 340/4885YTHDC1 4875/4885
US-20120122838-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB HDAC1 440/4885HDAC6 340/4885YTHDC1 4875/4885

“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.