SCHEMBL6159260

SCHEMBL6159260

Cc1ccc2[nH]c(Cc3nc4cc(CN)ccc4[nH]3)nc2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.55
CYP2C9 P11712 3/20 0.55
CYP2C19 P33261 3/20 0.55
CYP1A2 P05177 2/20 0.55
CYP3A4 P08684 2/20 0.55
CYP2D6 P10635 2/20 0.55
KMT2A Q03164 5/20 0.46
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
MEN1 O00255 3/20 0.46
GFER P55789 1/20 0.46
MAPT P10636 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
LMNA P02545 1/20 0.46
GAA P10253 2/20 0.43
LOXL2 Q9Y4K0 1/20 0.43
RAD52 P43351 1/20 0.42
UBE2N P61088 1/20 0.42
F10 P00742 1/20 0.41
KDM4E B2RXH2 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
SCHEMBL9043160 0.91 MAPT (0.49) POLBCYP2C9CYP2C19CYP1A2CYP3A4
SCHEMBL6159269 0.85 POLB (0.70) POLBCYP2C9CYP2C19CYP1A2CYP3A4
SCHEMBL7072252 0.85 RAD52 (0.59) POLBCYP2C9CYP2C19CYP1A2CYP3A4
SCHEMBL14399071 0.84 KMT2A (0.53) POLBCYP2C9CYP2C19CYP1A2CYP3A4
SCHEMBL6159254 0.84 GAA (0.59) POLBNPC1RAB9AMAPTSMN1; SMN2
SCHEMBL5795499 0.84 GAA (0.64) POLBCYP2C9CYP2C19CYP1A2CYP3A4
SCHEMBL20723555 0.84 POLB (0.76) POLBCYP2C9CYP2C19CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL28952652 0.83 KMT2A (0.56) POLBCYP2C9CYP2C19CYP1A2CYP3A4
SCHEMBL12570148 0.81 DDAH1 (0.54) POLBCYP2C9CYP2C19CYP1A2CYP3A4
SCHEMBL7071785 0.81 LMNA (0.66) POLBKMT2ANPC1RAB9AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0943008-B1 METAL MEDIATED SERINE PROTEASE INHIBITORS AXYS PHARM INC (US) 2005-11-09 EP disclosed
US-20030212120-A1 Compositions comprising a substituted benzimidazole useful for treating immunomediated inflammatory disorders AXYS PHARMACEUTICALS, INC. (US) 2003-11-13 US disclosed
US-6562854-B2 Antiinflammatory agents; respiratory system disorders AXYS PHARMACEUTICALS, INC. 2003-05-13 US disclosed
US-6355460-B1 DETECTING ENZYME INHIBITORS; INCUBATE ENZYME WITH MODULATOR, MONITOR SAMPLE FOR REDUCTION IN ENZYME ACTIVITY, REDUCTION IN ENZYME ACTIVITY INDICATES MODULATOR AXYS PHARMACEUTICALS, INC. 2002-03-12 US disclosed
US-20010053779-A1 Novel compounds and compositions for treating diseases asociated with protease activity Celera Corporation 2001-12-20 US disclosed
US-6255091-B1 ASSAYING FOR ENHANCED INHIBITION OF SERINE PROTEASE IN A MEDIUM THAT IS DEVOID OF DISSACIATED DIVALENT METAL CATIONS AXYS PHARMACEUTICALS, INC. 2001-07-03 US disclosed
EP-1019382-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING DISEASES ASSOCIATED WITH SERINE PROTEASE, PARTICULARLY TRYPTASE, ACTIVITY AXYS PHARMACEUTICALS, INC. (US) 2000-07-19 EP disclosed
EP-0943008-A1 METAL MEDIATED SERINE PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 1999-09-22 EP disclosed
WO-1998045275-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING DISEASES ASSOCIATED WITH SERINE PROTEASE, PARTICULARLY TRYPTASE, ACTIVITY AXYS PHARMACEUTICALS CORPORATION (US) 1998-10-15 WO disclosed
WO-1998022619-A1 METAL MEDIATED SERINE PROTEASE INHIBITORS ARRIS PHARMACEUTICAL CORPORATION (US) 1998-05-28 WO 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-20010053779-A1 Novel compounds and compositions for treating diseases asociated with protease activity CMA1, CPA3, TPSG1 POLB 2637/4885CYP2C9 966/4885CYP2C19 798/4885
US-20030212120-A1 Compositions comprising a substituted benzimidazole useful for treating immunomediated inflammatory disorders CMA1, TPSG1, TPSD1 POLB 2297/4885CYP2C9 400/4885CYP2C19 138/4885

“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.