SCHEMBL4662540

SCHEMBL4662540

CCc1cccc(C)c1CNc1cc(C(=O)N(C)C)cn2nc(C)nc12

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 16/20 0.55
CYP2C9 P11712 14/20 0.55
CYP2D6 P10635 8/20 0.55
CYP1A2 P05177 6/20 0.55
CYP2C19 P33261 6/20 0.55
FYN P06241 1/20 0.38
PTK2 Q05397 1/20 0.35
TGFBR1 P36897 1/20 0.35
CD38 P28907 3/20 0.35
KCNH2 Q12809 1/20 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
SCHEMBL4662008 0.89 CYP3A4 (0.57) CYP3A4CYP2C9CYP2D6CYP1A2CYP2C19
SCHEMBL4662488 0.88 CYP3A4 (0.56) CYP3A4CYP2C9CYP2D6CYP1A2CYP2C19
SCHEMBL4987563 0.83 CYP3A4 (0.79) CYP3A4CYP2C9CYP2D6CYP1A2CYP2C19
SCHEMBL6017786 0.83 CYP3A4 (0.51) CYP3A4CYP2C9CYP2D6CYP1A2CYP2C19
SCHEMBL4663690 0.82 CYP3A4 (0.51) CYP3A4CYP2C9CYP2D6CYP1A2CYP2C19
SCHEMBL5656470 0.82 CYP3A4 (0.58) CYP3A4CYP2C9CYP2D6CYP1A2CYP2C19
Hydrochloric Acid SCHEMBL4662473 0.82 CYP3A4 (0.46) CYP3A4CYP2C9CYP2D6CYP1A2CYP2C19
SCHEMBL4663628 0.80 CYP3A4 (0.51) CYP3A4CYP2C9CYP2D6CYP1A2CYP2C19
SCHEMBL4663733 0.80 CYP3A4 (0.48) CYP3A4CYP2C9CYP2D6CYP1A2CYP2C19
Hydrochloric Acid SCHEMBL4663611 0.79 CYP3A4 (0.48) CYP3A4CYP2C9CYP2D6CYP1A2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080033006-A1 1,2,4-Triazolo[ 1,5-A] Pyridines as Gastric Acid Secretion Inhibitors ALTANA PHARMA AG (DE) 2008-02-07 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-20080033006-A1 1,2,4-Triazolo[ 1,5-A] Pyridines as Gastric Acid Secretion Inhibitors CCKBR, GIPR, PGA5 CYP3A4 314/4885CYP2C9 435/4885CYP2D6 436/4885

“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.