SCHEMBL2980227

SCHEMBL2980227

CSc1cccc(-c2nc3cc(NC(=O)OC(C)C)cnc3[nH]2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 6/20 0.44
HPGD P15428 2/20 0.39
ALOX15 P16050 1/20 0.39
MAPT P10636 3/20 0.39
KMT2A Q03164 6/20 0.39
MEN1 O00255 5/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
SMN1; SMN2 Q16637 4/20 0.38
TP53 P04637 2/20 0.38
KDM4E B2RXH2 3/20 0.38
MAPK1 P28482 1/20 0.38
ALDH1A1 P00352 2/20 0.37
POLB P06746 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CYP3A4 P08684 1/20 0.37
TUBB4A P04350 1/20 0.37
TUBB P07437 1/20 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
SCHEMBL2978594 0.89 BTK (0.40) BTKHPGDALOX15CYP1A2CYP2D6
SCHEMBL2982534 0.86 BTK (0.45) BTKHPGDALOX15MAPTKMT2A
SCHEMBL2971350 0.85 SMN1; SMN2 (0.47) BTKHPGDALOX15MAPTKMT2A
SCHEMBL2986488 0.85 KMT2A (0.54) BTKHPGDALOX15MAPTKMT2A
SCHEMBL2979947 0.83 MEN1 (0.48) BTKKMT2AMEN1NPC1RAB9A
SCHEMBL2978601 0.83 BTK (0.44) BTKHPGDALOX15MAPTKMT2A
SCHEMBL2984214 0.83 BTK (0.47) BTKHPGDMAPTKMT2AMEN1
SCHEMBL2974034 0.83 BTK (0.44) BTKHPGDALOX15MAPTKMT2A
SCHEMBL2974331 0.83 MAPT (0.47) BTKMAPTKMT2AMEN1CYP1A2
SCHEMBL2985489 0.81 BTK (0.47) BTKMAPTKMT2ASMN1; SMN2TP53

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-7786113-B2 Heterocyclic carbamate derivatives, their manufacture and use as pharmaceutical agents HOFFMAN-LA ROCHE INC. (US) 2010-08-31 US disclosed
US-20080009492-A1 Heterocyclic Carbamate Derivatives, Their Manufacture And Use As Pharmaceutical Agents F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2008-01-10 US disclosed
EP-1831218-A2 CARBAMATE SUBSTITUTED IMIDAZO- AND PYRROLO-PYRIDINES AS PROTEIN KINASE INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2007-09-12 EP disclosed
WO-2006066914-A2 CARBAMATE SUBSTITUTED IMIDAZO- AND PYRROLO-PYRIDINES AS PROTEIN KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2006-06-29 WO 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-20080009492-A1 Heterocyclic Carbamate Derivatives, Their Manufacture And Use As Pharmaceutical Agents RCC2, ACMSD, CPS1 BTK 2459/4885HPGD 367/4885ALOX15 2682/4885

“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.