SCHEMBL7072252

SCHEMBL7072252

NCc1ccc2[nH]c(Cc3nc4ccc(CN)cc4[nH]3)nc2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAD52 P43351 1/20 0.59
UBE2N P61088 1/20 0.59
F10 P00742 8/20 0.50
TPSAB1 Q15661 3/20 0.50
PRSS1 P07477 2/20 0.50
F2 P00734 2/20 0.50
CYP1A2 P05177 1/20 0.50
POLB P06746 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
PLG P00747 1/20 0.50
PLAU P00749 1/20 0.50
PRSS2 P07478 1/20 0.50
PRSS3 P35030 1/20 0.50
TPSD1 Q9BZJ3 1/20 0.49
TPSG1 Q9NRR2 1/20 0.49
F7 P08709 1/20 0.48
GAA P10253 4/20 0.48

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 0.94 MAPT (0.49) RAD52UBE2NF10TPSAB1PRSS1
SCHEMBL6159261 0.89 F2 (0.60) RAD52UBE2NF10F2CYP1A2
SCHEMBL6159254 0.89 GAA (0.59) F10F2POLBF7GAA
SCHEMBL7071785 0.87 LMNA (0.66) RAD52UBE2NF10F2POLB
SCHEMBL6159260 0.85 POLB (0.55) RAD52UBE2NF10CYP1A2POLB
SCHEMBL6159269 0.85 POLB (0.70) RAD52UBE2NF10TPSAB1PRSS1
SCHEMBL5795499 0.83 GAA (0.64) CYP1A2POLBCYP3A4CYP2D6CYP2C9
SCHEMBL12570148 0.81 DDAH1 (0.54) RAD52UBE2NCYP1A2POLBCYP3A4
SCHEMBL7402276 0.80 F10 (0.64) F10TPSAB1PRSS1F2PLG
SCHEMBL7070115 0.80 NPSR1 (0.49) F10TPSAB1PRSS1F2CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20010053779-A1 Novel compounds and compositions for treating diseases asociated with protease activity Celera Corporation 2001-12-20 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
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

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 RAD52 4355/4885UBE2N 2838/4885F10 1801/4885
US-20030212120-A1 Compositions comprising a substituted benzimidazole useful for treating immunomediated inflammatory disorders CMA1, TPSG1, TPSD1 RAD52 4067/4885UBE2N 1781/4885F10 3661/4885

“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.