SCHEMBL4817433

SCHEMBL4817433

COC(=O)c1cccn(-c2ccccn2)c1=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.56
POLB P06746 2/20 0.56
GAA P10253 1/20 0.56
TDP1 Q9NUW8 2/20 0.47
GABRG2 P18507 2/20 0.46
GABRB3 P28472 2/20 0.46
GABRA3 P34903 2/20 0.46
TYK2 P29597 2/20 0.44
MET P08581 1/20 0.44
KDM4E B2RXH2 7/20 0.43
ATM Q13315 1/20 0.43
ALDH1A1 P00352 5/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
MAPT P10636 1/20 0.42
THRB P10828 1/20 0.42
HPGD P15428 1/20 0.42
GABRA1 P14867 1/20 0.42

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
SCHEMBL30367869 1.00 TSHR (0.56) TSHRPOLBGAATDP1GABRG2
SCHEMBL30367555 0.82 TYK2 (0.50) TSHRPOLBGAATDP1TYK2
SCHEMBL4814573 0.82 TYK2 (0.50) TSHRPOLBGAATDP1TYK2
SCHEMBL25070118 0.80 TYK2 (0.45) GABRG2GABRB3GABRA3TYK2KDM4E
SCHEMBL25532209 0.80 RAB9A (0.40) TSHRPOLBGAAGABRG2GABRB3
SCHEMBL30367362 0.80 TYK2 (0.46) TSHRGAAGABRG2GABRB3GABRA3
SCHEMBL25529013 0.80 TYK2 (0.46) TSHRGAAGABRG2GABRB3GABRA3
SCHEMBL20689686 0.78 MYC (0.43) TSHRPOLBTDP1GABRG2GABRB3
SCHEMBL1136978 0.78 ALDH1A1 (0.60) TSHRPOLBGAAGABRG2GABRB3
SCHEMBL30499544 0.77 TSHR (0.53) TSHRPOLBGAATDP1MET

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7439246-B2 Fused heterocyclic kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-10-21 US disclosed
US-7439246-B2 Fused heterocyclic kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-10-21 US disclosed
US-7439246-B2 Fused heterocyclic kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-10-21 US disclosed
US-7173031-B2 Pyrrolotriazine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-02-06 US disclosed
US-7173031-B2 Pyrrolotriazine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-02-06 US disclosed
US-7173031-B2 Pyrrolotriazine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-02-06 US disclosed
US-20060211695-A1 Fused heterocyclic kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2006-09-21 US disclosed
US-20060004006-A1 Pyrrolotriazine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2006-01-05 US disclosed
US-20050288290-A1 Fused heterocyclic kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2005-12-29 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 (3 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-20050288290-A1 Fused heterocyclic kinase inhibitors MAP3K20, MAP3K19, ABL1 TSHR 2615/4885POLB 3017/4885GAA 1488/4885
US-20060004006-A1 Pyrrolotriazine kinase inhibitors MAP3K5, MAP3K15, MAP4K2 TSHR 1726/4885POLB 2179/4885GAA 2824/4885
US-20060211695-A1 Fused heterocyclic kinase inhibitors MAP3K20, MAP3K19, ABL1 TSHR 2615/4885POLB 3017/4885GAA 1488/4885

“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.