SCHEMBL4411432

SCHEMBL4411432

Cc1cncc(COc2ccc(N)cc2Cl)n1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 6/20 0.48
SYK P43405 1/20 0.44
S1PR4 O95977 8/20 0.39
FFAR1 O14842 1/20 0.38
BDKRB2 P30411 1/20 0.38
CYP3A4 P08684 1/20 0.38
HTR1A P08908 1/20 0.35
DRD2 P14416 1/20 0.35
HTR7 P34969 1/20 0.35
HTR6 P50406 1/20 0.35
NPC1 O15118 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34

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
SCHEMBL12524878 0.86 MRGPRX4 (0.50) MRGPRX4S1PR4FFAR1BDKRB2CYP3A4
SCHEMBL1016955 0.83 SYK (0.50) MRGPRX4SYKS1PR4FFAR1NPC1
SCHEMBL29963026 0.83 SYK (0.50) MRGPRX4SYKS1PR4FFAR1NPC1
SCHEMBL23538130 0.82 SYK (0.45) MRGPRX4SYKS1PR4FFAR1CYP3A4
SCHEMBL15701535 0.81 RXRA (0.49) MRGPRX4S1PR4FFAR1BDKRB2
SCHEMBL23537899 0.80 MRGPRX4 (0.43) MRGPRX4SYKS1PR4NPC1LMNA
SCHEMBL2702047 0.80 SYK (0.52) MRGPRX4SYKS1PR4CYP3A4NPC1
SCHEMBL29945002 0.80 SYK (0.52) MRGPRX4SYKS1PR4CYP3A4NPC1
SCHEMBL29944991 0.80 SYK (0.52) MRGPRX4SYKS1PR4CYP3A4NPC1
SCHEMBL4798371 0.77 CYP3A4 (0.40) S1PR4CYP3A4LMNAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1699798-A4 DI-SUBSTITUTED PYRROLOTRIAZINE COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2009-03-11 EP disclosed
EP-1699798-A2 DI-SUBSTITUTED PYRROLOTRIAZINE COMPOUNDS Bristol-Myers Squibb Company (US) 2006-09-13 EP disclosed
US-7064203-B2 Di-substituted pyrrolotriazine compounds BRISTOL MYERS SQUIBB COMPANY (US) 2006-06-20 US disclosed
US-20050197339-A1 Di-substituted pyrrolotrizine compounds BRISTOL-MYERS SQUIBB COMPANY 2005-09-08 US disclosed
WO-2005065266-A2 DI-SUBSTITUTED PYRROLOTRIAZINE COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-07-21 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-20050197339-A1 Di-substituted pyrrolotrizine compounds ERBB2, ERBB4, EGFR MRGPRX4 1455/4885SYK 415/4885S1PR4 899/4885

“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.