SCHEMBL6832637

SCHEMBL6832637

C(=C/c1nc2ccccc2n1-c1ccccn1)\c1ccccn1

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
FGFR1 P11362 1/20 0.49
RAB9A P51151 3/20 0.47
NPC1 O15118 2/20 0.47
ATM Q13315 1/20 0.47
POLB P06746 3/20 0.46

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
SCHEMBL6832639 1.00 MEN1 (0.49) MEN1KMT2AFGFR1RAB9ANPC1
Hydrochloric Acid SCHEMBL6835840 0.99 MEN1 (0.48) MEN1KMT2AFGFR1RAB9ANPC1
Hydrochloric Acid SCHEMBL6835843 0.99 MEN1 (0.48) MEN1KMT2AFGFR1RAB9ANPC1
SCHEMBL6835941 0.87 ALDH1A1 (0.56) KMT2ARAB9ANPC1POLB
SCHEMBL6835939 0.87 ALDH1A1 (0.56) KMT2ARAB9ANPC1POLB
SCHEMBL6583981 0.85 MEN1 (0.58) MEN1KMT2AFGFR1RAB9ANPC1
SCHEMBL6583988 0.85 MEN1 (0.58) MEN1KMT2AFGFR1RAB9ANPC1
SCHEMBL7473227 0.82 RAB9A (0.42) MEN1KMT2ARAB9ANPC1POLB
SCHEMBL6835921 0.82 TP53 (0.42) MEN1KMT2ARAB9ANPC1POLB
SCHEMBL7473215 0.82 RAB9A (0.42) MEN1KMT2ARAB9ANPC1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040181062-A1 Benzimidazole cyclooxygenase-2 inhibitor PFIZER INC 2004-09-16 US disclosed
US-6713482-B2 SUCH AS (E)-1-(2-PYRIDYL)-2-STYRYL-1H-BENZIMIDAZOLE; ANTIINFLAMMATORY AND ANALGESIC AGENTS; PROSTAGLANDIN INHIBITORS PFIZER INC. 2004-03-30 US disclosed
US-20030013886-A1 Benzimidazole cyclooxygenase-2 inhibitors OKUMURA YOSHIYUKI (JP) 2003-01-16 US disclosed
EP-0937722-B1 Benzimidazole derivatives as cyclooxygenase-2 inhibitors PFIZER (US) 2002-07-03 EP disclosed
US-6310079-B1 NON-STEROIDAL ANTIINFLAMMATORY AGENTS PFIZER INC. 2001-10-30 US disclosed
EP-0937722-A1 Benzimidazole derivatives as cyclooxygenase-2 inhibitors PFIZER INC. (US) 1999-08-25 EP 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 (2 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-20030013886-A1 Benzimidazole cyclooxygenase-2 inhibitors PTGS1, CBR1, CBR3 MEN1 4840/4885KMT2A 1611/4885FGFR1 3309/4885
US-20040181062-A1 Benzimidazole cyclooxygenase-2 inhibitor PTGS1, CBR1, CBR3 MEN1 4821/4885KMT2A 1403/4885FGFR1 3242/4885

“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.