SCHEMBL6832802

SCHEMBL6832802

Cc1ccc(N)c(Nc2ccccn2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.55
KMT2A Q03164 5/20 0.55
MAPK10 P53779 3/20 0.55
GFER P55789 1/20 0.55
RAB9A P51151 6/20 0.47
NPC1 O15118 5/20 0.47
NPSR1 Q6W5P4 4/20 0.47
MAPT P10636 4/20 0.47
GAA P10253 4/20 0.47
KDR P35968 1/20 0.43
ALDH1A1 P00352 3/20 0.41
HTT P42858 2/20 0.41
LMNA P02545 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
HPGD P15428 1/20 0.41
NFKB1 P19838 1/20 0.41
CYP2C19 P33261 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41

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 0.87 MAPK10 (0.55) MEN1KMT2AMAPK10GFERRAB9A
SCHEMBL28213394 0.82 MEN1 (0.56) MEN1KMT2AMAPK10GFERRAB9A
SCHEMBL4926590 0.81 MEN1 (0.55) MEN1KMT2AMAPK10GFERRAB9A
SCHEMBL11900768 0.81 MEN1 (0.55) MEN1KMT2AMAPK10GFERRAB9A
SCHEMBL19024050 0.81 MEN1 (0.55) MEN1KMT2AMAPK10GFERRAB9A
SCHEMBL22232308 0.80 MEN1 (0.50) MEN1KMT2AMAPK10GFERRAB9A
SCHEMBL29454154 0.80 MEN1 (0.50) MEN1KMT2AMAPK10GFERRAB9A
SCHEMBL16035800 0.79 MAPK10 (0.53) MEN1KMT2AMAPK10GFERRAB9A
SCHEMBL29689147 0.79 MAPK10 (0.53) MEN1KMT2AMAPK10GFERRAB9A
SCHEMBL4943709 0.79 MEN1 (0.73) MEN1KMT2AMAPK10GFERRAB9A

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 1611/4885MAPK10 3836/4885
US-20040181062-A1 Benzimidazole cyclooxygenase-2 inhibitor PTGS1, CBR1, CBR3 MEN1 4821/4885KMT2A 1403/4885MAPK10 3964/4885

“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.