SCHEMBL13209348

SCHEMBL13209348

COc1cccc2c1ccn2C(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.49
HTR6 P50406 2/20 0.48
FABP4 P15090 2/20 0.44
RHEB Q15382 1/20 0.38
PRMT5 O14744 1/20 0.37
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA7 P43166 2/20 0.37
CA9 Q16790 2/20 0.37
CA12 O43570 1/20 0.37
CA4 P22748 1/20 0.37
CA14 Q9ULX7 1/20 0.37
MGLL Q99685 1/20 0.36
FFAR4 Q5NUL3 1/20 0.36
MAPT P10636 2/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
DRD2 P14416 1/20 0.35
DRD3 P35462 1/20 0.35
GAA P10253 2/20 0.35

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
SCHEMBL28682498 0.78 HTR2C (0.51) HTR2CHTR6FABP4RHEBPRMT5
SCHEMBL29989576 0.76 RHEB (0.62) HTR2CHTR6FABP4RHEBCA1
SCHEMBL13209712 0.76 HTR2A (0.45) HTR2CFABP4PRMT5ALDH1A1
SCHEMBL347727 0.76 RHEB (0.62) HTR2CHTR6FABP4RHEBCA1
SCHEMBL13209355 0.74 NOTUM (0.50) HTR6MAPTDRD2DRD3
SCHEMBL22810542 0.74 HTR2C (0.51) HTR2CHTR6FABP4RHEBPRMT5
SCHEMBL4569749 0.74 CA2 (0.39) HTR6CA2ALDH1A1DRD2
SCHEMBL5216668 0.74 HTR2C (0.55) HTR2CHTR6FABP4RHEBPRMT5
SCHEMBL28894113 0.73 HTR6 (0.47) HTR2CHTR6FABP4RHEBPRMT5
SCHEMBL28481986 0.72 FABP4 (0.48) HTR2CHTR6FABP4CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210323966-A1 IMIDAZOPYRIDAZINE COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2021-10-21 US disclosed
US-20190015413-A1 ACRYLANILIDE DERIVATIVE, PREPARATION METHOD, AND APPLICATIONS THEREOF IN PHARMACY ANCUREALL PHARMACEUTICAL (SHANGHAI) CO., LTD. (CN) 2019-01-17 US disclosed
US-8329718-B2 N-linked heterocyclic antagonists of P2Y1 receptor useful in the treatment of thrombotic conditions BRISTOL-MYERS SQUIBB COMPANY (US) 2012-12-11 US disclosed
US-8329718-B2 N-linked heterocyclic antagonists of P2Y1 receptor useful in the treatment of thrombotic conditions BRISTOL-MYERS SQUIBB COMPANY (US) 2012-12-11 US disclosed
US-20100197716-A1 N-LINKED HETEROCYCLIC ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS BRISTOL-MYERS SQUIBB COMPANY 2010-08-05 US disclosed
US-20100197716-A1 N-LINKED HETEROCYCLIC ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS BRISTOL-MYERS SQUIBB COMPANY 2010-08-05 US disclosed
US-7728008-B2 N-linked heterocyclic antagonists of P2Y1 receptor useful in the treatment of thrombotic conditions BRISTOL-MYERS SQUIBB COMPANY (US) 2010-06-01 US disclosed
US-7550499-B2 Urea antagonists of P2Y1 receptor useful in the treatment of thrombotic conditions BRISTOL-MYERS SQUIBB COMPANY (US) 2009-06-23 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-20210323966-A1 IMIDAZOPYRIDAZINE COMPOUNDS TYK2, JAK3, JAK1 HTR2C 942/4885HTR6 3272/4885FABP4 4460/4885
US-20190015413-A1 ACRYLANILIDE DERIVATIVE, PREPARATION METHOD, AND APPLICATIONS THEREOF IN PHARMACY EGFR, ABL1, CSNK1A1 HTR2C 2503/4885HTR6 2326/4885FABP4 3065/4885
US-20100197716-A1 N-LINKED HETEROCYCLIC ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS P2RY1, P2RY11, P2RY13 HTR2C 282/4885HTR6 274/4885FABP4 4694/4885

“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.