SCHEMBL6836639

SCHEMBL6836639

Nc1cc(F)ccc1Nc1ccccn1

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
HDAC3 O15379 2/20 0.44
HDAC1 Q13547 2/20 0.44
NCOR1 O75376 1/20 0.44
RAB9A P51151 6/20 0.44
NPC1 O15118 5/20 0.44
MAPK14 Q16539 3/20 0.44
CDK5 Q00535 2/20 0.43
CDK5R1 Q15078 2/20 0.43
LMNA P02545 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
MAPK1 P28482 1/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL11900768 0.87 MEN1 (0.55) MEN1KMT2AMAPK10GFERHDAC3
SCHEMBL28120173 0.83 MEN1 (0.58) MEN1KMT2AMAPK10GFERRAB9A
SCHEMBL23619042 0.81 MAPK10 (0.55) MEN1KMT2AMAPK10GFERHDAC3
SCHEMBL25768719 0.81 MEN1 (0.55) MEN1KMT2AMAPK10GFERRAB9A
SCHEMBL6836695 0.81 MAPK10 (0.55) MEN1KMT2AMAPK10GFERRAB9A
SCHEMBL22231932 0.80 MEN1 (0.50) MEN1KMT2AMAPK10GFERRAB9A
SCHEMBL29454061 0.80 MEN1 (0.50) MEN1KMT2AMAPK10GFERRAB9A
SCHEMBL1865050 0.80 MAPT (0.61) MEN1KMT2AMAPK10GFERRAB9A
SCHEMBL20170439 0.79 MKNK1 (0.44) HDAC3HDAC1NCOR1MAPK14CDK5
SCHEMBL4943709 0.79 MEN1 (0.73) MEN1KMT2AMAPK10GFERHDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8653089-B2 Heterocyclic compounds and methods of use F. HOFFMANN-LA ROCHE AG (CH) 2014-02-18 US disclosed
EP-2673269-A1 HETEROCYCLIC COMPOUNDS AS PI3 KINASE INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2013-12-18 EP disclosed
WO-2012107465-A1 HETEROCYCLIC COMPOUNDS AS PI3 KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2012-08-16 WO disclosed
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.