SCHEMBL4044940

SCHEMBL4044940

CCC(C(=O)O)c1ncccc1NC(=O)Cc1nc2ccccc2o1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.43
ADRB1 P08588 1/20 0.43
ADRB3 P13945 1/20 0.43
RAB9A P51151 4/20 0.41
NPC1 O15118 3/20 0.41
TSHR P16473 3/20 0.39
ALDH1A1 P00352 2/20 0.39
LMNA P02545 2/20 0.39
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
CSNK1D P48730 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
CYP1A2 P05177 1/20 0.38
HPGD P15428 1/20 0.38
CYP2C19 P33261 1/20 0.38
TP53 P04637 3/20 0.37
HDAC3 O15379 1/20 0.37
MAPT P10636 2/20 0.37

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
SCHEMBL2217776 0.76 KDM4E (0.40) ADRB2ADRB1ADRB3RAB9ANPC1
SCHEMBL4743256 0.74 TP53 (0.54) RAB9ANPC1ALDH1A1LMNAPOLB
SCHEMBL11835830 0.73 MEN1 (0.61) ADRB2ADRB1ADRB3RAB9ANPC1
SCHEMBL12561522 0.71 NPC1 (0.51) RAB9ANPC1ALDH1A1LMNAL3MBTL1
SCHEMBL14310604 0.71 RAB9A (0.54) RAB9ANPC1TSHRALDH1A1LMNA
SCHEMBL13342377 0.70 NPC1 (0.50) ADRB2ADRB1ADRB3RAB9ANPC1
SCHEMBL11321089 0.69 NPC1 (0.49) RAB9ANPC1LMNAL3MBTL1TP53
SCHEMBL4044947 0.68 NPC1 (0.42) ADRB2ADRB1ADRB3RAB9ANPC1
SCHEMBL4044952 0.68 RAB9A (0.37) ADRB2ADRB1ADRB3RAB9ANPC1
SCHEMBL6246089 0.68 CSNK1D (0.44) ADRB2ADRB1ADRB3RAB9ANPC1

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-7576090-B2 e.g. N-[2-(6,7-Dimethoxyquinazolin-4-ylamino)benzothiazol-6-yl ]benzamide; multi-target protein kinase, especially epidermal and endothrlial growth factor, inhibitors; antiproliferative, anticarcinogenic agent 4SC AG (DE) 2009-08-18 US disclosed
US-7514460-B2 Benzazole analogues and uses thereof 4SC AG (DE) 2009-04-07 US disclosed
EP-1885719-A1 2,5- AND 2,6-DISUBSTITUTED BENZAZOLE DERIVATIVES USEFUL AS PROTEIN KINASE INHIBITORS 4SC AG (DE) 2008-02-13 EP disclosed
EP-1833823-A1 2,5- AND 2,6-DISUBSTITUTED BENZAZOLE ANALOGUES USEFUL AS PROTEIN KINASE INHIBITORS 4SC AG (DE) 2007-09-19 EP disclosed
WO-2006069740-A1 2, 5 AND 2, 6-DISUBSTITUTED BENZAZOLE ANALOGUES USEFUL AS PROTEIN KINASE INHIBITORS 4SC AG (DE) 2006-07-06 WO disclosed
WO-2006066795-A1 2,5- AND 2,6-DISUBSTITUTED BENZAZOLE DERIVATIVES USEFUL AS PROTEIN KINASE INHIBITORS 4SC AG (DE) 2006-06-29 WO disclosed
US-20060142570-A1 Benzazole analogues and uses thereof 4SC AG (DE) 2006-06-29 US disclosed
EP-1674466-A1 2,5- and 2,6-disubstituted benzazole analogues useful as protein kinase inhibitors 4SC AG (DE) 2006-06-28 EP disclosed
EP-1674467-A1 2,5- and 2,6-disubstituted benzazole derivatives useful as protein kinase inhibitors 4SC AG (DE) 2006-06-28 EP disclosed
US-20060135782-A1 Benzazole analogues and uses thereof 4SC AG (DE) 2006-06-22 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-20060142570-A1 Benzazole analogues and uses thereof CYP3A5, CYP3A7, CYP3A43 ADRB2 578/4885ADRB1 858/4885ADRB3 194/4885
US-20060135782-A1 Benzazole analogues and uses thereof DCK, SBK3, DAPK3 ADRB2 3093/4885ADRB1 3625/4885ADRB3 1783/4885

“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.