SCHEMBL6765190

SCHEMBL6765190

Cc1cc(N)n(-c2cc3ccccc3cc2F)n1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.60
CYP2C19 P33261 2/20 0.60
RAB9A P51151 2/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
CYP3A4 P08684 1/20 0.60
CYP2C9 P11712 1/20 0.60
MAPK1 P28482 1/20 0.56
ALDH1A1 P00352 2/20 0.47
F10 P00742 11/20 0.46
LMNA P02545 1/20 0.46
POLB P06746 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL10925409 0.83 CYP1A2 (0.59) CYP1A2CYP2C19RAB9ASMN1; SMN2CYP3A4
SCHEMBL3301591 0.79 CYP1A2 (0.49) CYP1A2CYP2C19RAB9ASMN1; SMN2CYP3A4
SCHEMBL3305547 0.79 CYP1A2 (0.49) CYP1A2CYP2C19RAB9ASMN1; SMN2CYP3A4
SCHEMBL1820891 0.77 CYP1A2 (0.51) CYP1A2CYP2C19RAB9ASMN1; SMN2CYP3A4
SCHEMBL11478440 0.77 SMN1; SMN2 (0.56) CYP1A2CYP2C19RAB9ASMN1; SMN2CYP3A4
Hydrochloric Acid SCHEMBL11471926 0.76 SMN1; SMN2 (0.55) CYP1A2CYP2C19RAB9ASMN1; SMN2CYP3A4
SCHEMBL1143383 0.76 CYP1A2 (0.62) CYP1A2CYP2C19RAB9ASMN1; SMN2CYP3A4
SCHEMBL6761636 0.76 F10 (0.56) F10
Hydrochloric Acid SCHEMBL11473767 0.75 CYP1A2 (0.61) CYP1A2CYP2C19RAB9ASMN1; SMN2CYP3A4
SCHEMBL21874531 0.75 CYP1A2 (0.56) CYP1A2CYP2C19RAB9ASMN1; SMN2CYP3A4

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-20040116399-A1 Inhibitors of factor Xa MILLENNIUM PHARMACEUTICALS, INC. 2004-06-17 US disclosed
US-6632815-B2 Show selectivity for factor Xa versus other proteases of coagulation or the fibrinolytic cascades MILLENNIUM PHARMACEUTICALS, INC. 2003-10-14 US disclosed
US-20020091116-A1 Show selectivity for factor Xa versus other proteases of coagulation or the fibrinolytic cascades MILLENNIUM PHARMACEUTICALS, INC. 2002-07-11 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-20020091116-A1 Show selectivity for factor Xa versus other proteases of coagulation or the fibrinolytic cascades SERPINC1, TFPI, F2 CYP1A2 3750/4885CYP2C19 3605/4885RAB9A 1818/4885

“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.