SCHEMBL3856820

SCHEMBL3856820

Cc1cccc2c1ncn2COCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.47
CYP1A2 P05177 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
AGER Q15109 1/20 0.42
LMNA P02545 2/20 0.41
ALDH1A1 P00352 2/20 0.40
MEN1 O00255 1/20 0.40
POLB P06746 1/20 0.40
HPGD P15428 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
BRD4 O60885 1/20 0.39
DAPK1 P53355 1/20 0.39
CYP11B1 P15538 3/20 0.38
CYP11B2 P19099 3/20 0.38
TSHR P16473 1/20 0.38
TNF P01375 1/20 0.38

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
SCHEMBL229001 0.81 LMNA (0.59) CYP1A2CYP2C9CYP2C19LMNAALDH1A1
SCHEMBL19848365 0.79 TRPM5 (0.42) CYP1A2LMNAALDH1A1MEN1HPGD
SCHEMBL1623128 0.78 AGER (0.64) CYP1A2CYP2C9CYP2C19CYP3A4CYP2D6
SCHEMBL5951884 0.78 DGAT1 (0.38) CYP1A2LMNAALDH1A1HPGDSMN1; SMN2
SCHEMBL10129568 0.74 CYP17A1 (0.45) ADORA2ACYP1A2LMNAALDH1A1MEN1
SCHEMBL24576308 0.73 PARP1 (0.46) ALDH1A1MEN1KMT2ASMN1; SMN2MAPK1
SCHEMBL19911313 0.72 CYP11B1 (0.41) CYP1A2CYP2C9CYP2C19LMNAALDH1A1
SCHEMBL10434937 0.72 TSHR (0.44) AGERLMNAALDH1A1MEN1POLB
SCHEMBL17987142 0.72 CYP11B1 (0.69) CYP2C9CYP2C19CYP3A4CYP2D6LMNA
SCHEMBL19848066 0.71 TLR8 (0.43) ADORA2ACYP1A2LMNAALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7576098-B2 Heterocyclic compounds as inhibitors of factor VIIa BRISTOL-MYERS SQUIBB COMPANY (US) 2009-08-18 US disclosed
EP-1828152-B1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF FACTOR VIIA BRISTOL MYERS SQUIBB CO (US) 2008-08-20 EP disclosed
US-20060211720-A1 Heterocyclic compounds as inhibitors of factor VIIa BRISTOL-MYERS SQUIBB COMPANY 2006-09-21 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 (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-20060211720-A1 Heterocyclic compounds as inhibitors of factor VIIa TFPI, F7, HABP2 ADORA2A 3971/4885CYP1A2 1374/4885CYP2C9 421/4885

“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.