SCHEMBL11990243

SCHEMBL11990243

CCC(C)c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.58
LMNA P02545 3/20 0.58
ALDH1A1 P00352 2/20 0.58
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
GPR119 Q8TDV5 7/20 0.52
SMN1; SMN2 Q16637 4/20 0.52
CYP2C19 P33261 1/20 0.52
HTT P42858 2/20 0.51
NAMPT P43490 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
NPC1 O15118 1/20 0.49
MAPK1 P28482 1/20 0.49
RAB9A P51151 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
KDM4E B2RXH2 1/20 0.49
GAA P10253 1/20 0.49
TSHR P16473 1/20 0.48
CTSS P25774 1/20 0.48
CTSK P43235 1/20 0.48

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
SCHEMBL5463400 0.91 NAMPT (0.57) MAPTLMNAALDH1A1MEN1KMT2A
SCHEMBL5878625 0.89 MAPT (0.57) MAPTLMNAALDH1A1MEN1KMT2A
SCHEMBL10223333 0.87 MAPT (0.64) MAPTLMNAALDH1A1MEN1KMT2A
SCHEMBL5573222 0.85 MAPT (0.76) MAPTLMNAALDH1A1MEN1KMT2A
SCHEMBL11989516 0.84 MAPT (0.61) MAPTLMNAALDH1A1MEN1KMT2A
SCHEMBL21378512 0.84 MAPT (0.61) MAPTLMNAALDH1A1MEN1KMT2A
SCHEMBL21378514 0.84 MAPT (0.61) MAPTLMNAALDH1A1MEN1KMT2A
SCHEMBL8257643 0.84 MAPT (0.64) MAPTLMNAALDH1A1MEN1KMT2A
SCHEMBL21435778 0.83 MAPT (0.60) MAPTLMNAALDH1A1MEN1KMT2A
SCHEMBL5877984 0.82 MEN1 (0.56) MAPTLMNAALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10308653-B2 Diazepane derivatives and uses thereof DANA-FARBER CANCER INSTITUTE, INC. (US) 2019-06-04 US disclosed
US-8530489-B2 5-cyano-4-(pyrrolo [2,3B] pyridine-3-yl)-pyrimidine derivatives useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-09-10 US disclosed
US-8247421-B2 5-cyano-4-(pyrrolo [2,3B] pyridine-3-yl)-pyrimidine derivatives useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-08-21 US disclosed
US-20100189773-A1 5-CYANO-4- (PYRROLO [2,3] PYRIDINE-3-YL) -PYRIMIDINE DERIVATIVES USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2010-07-29 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-10308653-B2 Diazepane derivatives and uses thereof BRDT, BRD4, BAZ2A MAPT 3357/4885LMNA 744/4885ALDH1A1 3052/4885
US-20100189773-A1 5-CYANO-4- (PYRROLO [2,3] PYRIDINE-3-YL) -PYRIMIDINE DERIVATIVES USEFUL AS PROTEIN KINASE INHIBITORS MAP3K5, CDK5, MAP3K20 MAPT 1661/4885LMNA 2413/4885ALDH1A1 4040/4885

“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.