SCHEMBL57463

SCHEMBL57463

Nc1cc(Cc2ccc(F)cc2)c(N)c(N)n1

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MPO P05164 14/20 0.56
ADCY10 Q96PN6 1/20 0.40
MAPT P10636 1/20 0.38
TPO P07202 1/20 0.38
CYP3A4 P08684 1/20 0.38
EPX P11678 1/20 0.38

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
SCHEMBL2573719 0.85 MPO (0.44) MPO
Sampirtine SCHEMBL1230637 0.80 MPO (0.49) MPOADCY10
Sampirtine SCHEMBL29973209 0.80 MPO (0.49) MPOADCY10
SCHEMBL9537122 0.80 DHFR (0.43) MPOADCY10
SCHEMBL18585821 0.79 MPO (0.65) MPOADCY10TPOCYP3A4
Sampirtine SCHEMBL10569152 0.79 MPO (0.48) MPOADCY10
SCHEMBL28960523 0.77 MPO (0.45) MPOADCY10MAPTCYP3A4
SCHEMBL18618865 0.77 MPO (0.58) MPOTPOCYP3A4EPX
SCHEMBL3906522 0.74 MPO (0.43) MPOADCY10MAPT
SCHEMBL18620324 0.73 MPO (0.53) MPOADCY10MAPTTPOCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10494404-B2 Quinolinium conjugates of cyclosporin UCL BUSINESS PLC (GB) 2019-12-03 US disclosed
US-20170349632-A1 QUINOLIUM CONJUGATES OF CYCLOSPORIN UCL BUSINESS PLC (GB) 2017-12-07 US disclosed
US-20120122892-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2012-05-17 US disclosed
US-8129403-B2 e.g. 2-[9-(5-Cyclopropyl-1H-pyrazol-3-yl)-6-methyl-9H-purin-2-ylamino]-2-(4-fluorophenyl)ethanol; tropomyosin-related kinases (Trk's) inhibitor; anticarcinoganic agent; solid tumors and leukemia ASTRAZENECA AB (SE) 2012-03-06 US disclosed
US-7622482-B2 anticancer agents; tyrosine kinase inhibitors based on pyrazole-3-amine linked through amine to fused heterocyclic ring such as benzimidazole, or imidazo[4,5-b]pyridine; e.g. N-(5-cyclopropyl-1H-pyrazol-3-yl)-3-(1-(4-fluorophenyl)ethyl)-3H-imidazo[4,5-b]pyridin-5-amine ASTRAZENECA (SE) 2009-11-24 US disclosed
US-20090137624-A1 anticancer agents; tyrosine kinase inhibitors based on pyrazole-3-amine linked through amine to fused heterocyclic ring such as benzimidazole, or imidazo[4,5-b]pyridine; e.g. N-(5-cyclopropyl-1H-pyrazol-3-yl)-3-(1-(4-fluorophenyl)ethyl)-3H-imidazo[4,5-b]pyridin-5-amine ASTRAZENECA AB (SE) 2009-05-28 US disclosed
US-20080176872-A1 Chemical Compounds ASTRAZENECA AB (SE) 2008-07-24 US 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 (5 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-20080176872-A1 Chemical Compounds TP53, XPOT, KRAS MPO 2249/4885ADCY10 1730/4885MAPT 1211/4885
US-10494404-B2 Quinolinium conjugates of cyclosporin SQOR, SHMT2, CS MPO 1016/4885ADCY10 2307/4885MAPT 1989/4885
US-20170349632-A1 QUINOLIUM CONJUGATES OF CYCLOSPORIN SHMT2, CS, SQOR MPO 1332/4885ADCY10 2075/4885MAPT 2112/4885
US-20120122892-A1 CHEMICAL COMPOUNDS TP53, XPOT, KRAS MPO 2035/4885ADCY10 1950/4885MAPT 1265/4885
US-20090137624-A1 anticancer agents; tyrosine kinase inhibitors based on pyrazole-3-amine linked through amine to fused heterocyclic ring such as benzimidazole, or imidazo[4,5-b]pyridine; e.g. N-(5-cyclopropyl-1H-pyrazol-3-yl)-3-(1-(4-fluorophenyl)ethyl)-3H-imidazo[4,5-b]pyridin-5-amine ERBB4, ERBB2, ABL1 MPO 3431/4885ADCY10 3966/4885MAPT 2194/4885

“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.