SCHEMBL2985489

SCHEMBL2985489

COCCOc1cccc(-c2nc3cc(NC(=O)OC(C)C)cnc3[nH]2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 6/20 0.47
HDAC6 Q9UBN7 7/20 0.45
MAPT P10636 3/20 0.43
TP53 P04637 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
HDAC3 O15379 6/20 0.42
HDAC4 P56524 6/20 0.42
HDAC1 Q13547 6/20 0.42
HDAC7 Q8WUI4 6/20 0.42
HDAC2 Q92769 6/20 0.42
HDAC10 Q969S8 6/20 0.42
HDAC11 Q96DB2 6/20 0.42
HDAC8 Q9BY41 6/20 0.42
HDAC9 Q9UKV0 6/20 0.42
HDAC5 Q9UQL6 6/20 0.42
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41
KMT2A Q03164 1/20 0.40
CHEK1 O14757 1/20 0.40
CHEK2 O96017 1/20 0.40

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
SCHEMBL2988206 0.90 BTK (0.43) BTKHDAC6MAPTTP53SMN1; SMN2
SCHEMBL2977770 0.86 BTK (0.50) BTKMAPTTP53SMN1; SMN2KMT2A
SCHEMBL2977706 0.85 BTK (0.47) BTKMAPTTP53SMN1; SMN2KMT2A
SCHEMBL2980544 0.84 KIT (0.49) BTK
SCHEMBL4476257 0.84 NR2E3 (0.52) HDAC6MAPTTP53SMN1; SMN2HDAC3
SCHEMBL2979870 0.84 BTK (0.46) BTKMAPTTP53SMN1; SMN2KMT2A
SCHEMBL2982534 0.83 BTK (0.45) BTKMAPTTP53SMN1; SMN2KMT2A
SCHEMBL2971350 0.82 SMN1; SMN2 (0.47) BTKMAPTTP53SMN1; SMN2KMT2A
SCHEMBL2986488 0.82 KMT2A (0.54) BTKMAPTTP53SMN1; SMN2KMT2A
SCHEMBL5180066 0.81 BTK (0.46) BTKMAPTTP53SMN1; SMN2KMT2A

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 2459/4885HDAC6 262/4885MAPT 3652/4885

“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.