SCHEMBL3552942

SCHEMBL3552942

CCOc1nc(Cl)nc2ccccc12

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.64
KMT2A Q03164 4/20 0.57
MEN1 O00255 3/20 0.57
POLB P06746 3/20 0.56
MAPT P10636 2/20 0.56
HPGD P15428 1/20 0.56
TSHR P16473 1/20 0.56
GAA P10253 1/20 0.52
KDM4E B2RXH2 2/20 0.49
ALDH1A1 P00352 1/20 0.49
GBA1 P04062 1/20 0.47
ELANE P08246 1/20 0.46
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
RAB9A P51151 1/20 0.44
OPRM1 P35372 1/20 0.44
OPRD1 P41143 1/20 0.44
RAD52 P43351 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44

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
SCHEMBL9819484 0.84 L3MBTL1 (0.48) L3MBTL1KMT2AMEN1POLBMAPT
SCHEMBL15147751 0.81 PDE5A (0.65) L3MBTL1HPGDKDM4EALDH1A1GBA1
SCHEMBL28408860 0.81 KDM4E (0.53) L3MBTL1KMT2AMEN1POLBMAPT
SCHEMBL20610507 0.81 KMT2A (0.59) L3MBTL1KMT2AMEN1POLBMAPT
SCHEMBL1995850 0.80 NR1I3 (0.56) POLBMAPTHPGDKDM4EALDH1A1
SCHEMBL638096 0.80 L3MBTL1 (0.57) L3MBTL1KMT2AMEN1POLBMAPT
SCHEMBL28407301 0.79 KMT2A (0.49) L3MBTL1KMT2AMEN1POLBMAPT
Hydrochloric Acid SCHEMBL28406920 0.79 CYP1B1 (0.44) L3MBTL1TSHRKDM4EALDH1A1GBA1
SCHEMBL7673162 0.78 MEN1 (0.83) L3MBTL1KMT2AMEN1POLBMAPT
SCHEMBL4542917 0.77 NUDT1 (0.57) L3MBTL1KMT2AMEN1POLBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7855214-B2 Fused cyclic systems useful as inhibitors of TEC family protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-12-21 US disclosed
US-7855214-B2 Fused cyclic systems useful as inhibitors of TEC family protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-12-21 US disclosed
EP-1716151-A1 COMPOSITIONS USEFUL AS INHIBITORS OF PROTEIN KINASES Vertex Pharmaceuticals Incorporated (US) 2006-11-02 EP disclosed
WO-2005095406-A1 COMPOSITIONS USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2005-10-13 WO disclosed
US-20050209255-A1 Compositions useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED 2005-09-22 US disclosed
EP-0028473-B1 CHLORO- AND ALKOXY-SUBSTITUTED-2,4-DIAMINOQUINAZOLINES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM PFIZER INC. (US) 1985-01-09 EP disclosed
US-4377581-A ANTIHYPERTENSIVE AGENTS PFIZER INC. (US) 1983-03-22 US disclosed
US-4351940-A Chloro- and alkoxy-substituted-2-chloro-4-aminodquinazolines PFIZER INC. (US) 1982-09-28 US disclosed
US-4287341-A USEFUL AS ANTIHYPERTENSIVE AGENTS PFIZER INC. (US) 1981-09-01 US disclosed
EP-0028473-A1 Chloro- and alkoxy-substituted-2,4-diaminoquinazolines and pharmaceutical compositions containing them PFIZER INC. (US) 1981-05-13 EP 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 (1 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-20050209255-A1 Compositions useful as inhibitors of protein kinases MAP3K20, PACSIN2, MAP3K1 L3MBTL1 2913/4885KMT2A 2064/4885MEN1 1825/4885

“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.