SCHEMBL6836909

SCHEMBL6836909

COc1ccc(Nc2ccccn2)c(N)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.52
NPC1 O15118 4/20 0.52
MAPT P10636 3/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
NPSR1 Q6W5P4 2/20 0.52
ALDH1A1 P00352 2/20 0.52
LMNA P02545 1/20 0.52
ACP1 P24666 1/20 0.52
KMT2A Q03164 6/20 0.50
MEN1 O00255 5/20 0.50
MAPK10 P53779 2/20 0.50
GFER P55789 1/20 0.50
EGFR P00533 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.48
ULK1 O75385 1/20 0.47
POLB P06746 1/20 0.47
CDK5 Q00535 2/20 0.46
CDK5R1 Q15078 2/20 0.46
HTT P42858 3/20 0.46
GAA P10253 2/20 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
SCHEMBL6836695 0.80 MAPK10 (0.55) RAB9ANPC1MAPTSMN1; SMN2NPSR1
SCHEMBL31525845 0.78 NPC1 (0.50) RAB9ANPC1MAPTSMN1; SMN2ALDH1A1
SCHEMBL10188125 0.77 EGFR (0.47) RAB9ANPC1MAPTSMN1; SMN2ALDH1A1
SCHEMBL6836639 0.77 MEN1 (0.55) RAB9ANPC1SMN1; SMN2ALDH1A1LMNA
SCHEMBL25768719 0.77 MEN1 (0.55) RAB9ANPC1MAPTALDH1A1KMT2A
SCHEMBL23619042 0.77 MAPK10 (0.55) RAB9ANPC1MAPTALDH1A1LMNA
SCHEMBL31220866 0.77 MEN1 (0.68) RAB9ANPC1MAPTSMN1; SMN2ALDH1A1
SCHEMBL7719696 0.76 GAA (0.68) RAB9ANPC1MAPTSMN1; SMN2ALDH1A1
SCHEMBL30842882 0.76 KDR (0.55) RAB9ANPC1MAPTSMN1; SMN2NPSR1
SCHEMBL17683162 0.76 ROCK1 (0.47) RAB9ANPC1MAPTSMN1; SMN2ALDH1A1

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 RAB9A 4694/4885NPC1 2771/4885MAPT 4772/4885
US-20040181062-A1 Benzimidazole cyclooxygenase-2 inhibitor PTGS1, CBR1, CBR3 RAB9A 4729/4885NPC1 3021/4885MAPT 4736/4885

“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.