SCHEMBL11580425

SCHEMBL11580425

CC(=O)Nc1ccc2nc[nH]c2c1

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
QPCT Q16769 9/20 0.63
NAMPT P43490 1/20 0.60
RAB9A P51151 3/20 0.59
NPC1 O15118 2/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
TP53 P04637 1/20 0.59
MAPT P10636 1/20 0.59
ATM Q13315 1/20 0.59
P2RY14 Q15391 3/20 0.59
EPHX1 P07099 2/20 0.59
POLB P06746 2/20 0.57
CYP3A4 P08684 1/20 0.55
P2RY6 Q15077 1/20 0.55
HTT P42858 1/20 0.55

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
SCHEMBL839649 0.87 KDM4E (0.54) QPCTNAMPTRAB9ANPC1SMN1; SMN2
Hydrochloric Acid SCHEMBL2397058 0.86 KDM4E (0.53) QPCTNAMPTRAB9ANPC1SMN1; SMN2
SCHEMBL11437705 0.86 PRKCI (0.62) QPCTNAMPTRAB9ANPC1SMN1; SMN2
SCHEMBL5265936 0.85 NAMPT (0.66) QPCTNAMPTRAB9ANPC1SMN1; SMN2
SCHEMBL9059907 0.85 NAMPT (0.66) QPCTNAMPTRAB9ANPC1SMN1; SMN2
SCHEMBL21774243 0.84 QPCT (0.63) QPCTNAMPTRAB9ANPC1SMN1; SMN2
SCHEMBL24819770 0.84 QPCT (0.56) QPCTNAMPTRAB9ANPC1SMN1; SMN2
SCHEMBL30050799 0.82 QPCT (0.75) QPCTNAMPTRAB9ANPC1SMN1; SMN2
SCHEMBL30212912 0.81 QPCT (0.56) QPCTNAMPTRAB9ANPC1SMN1; SMN2
SCHEMBL24028037 0.81 QPCT (0.56) QPCTNAMPTRAB9ANPC1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4105656-A PROCESS FOR PREPARING 3-N-MONOSUBSTITUTED AMINO-4-SUBSTITUTED-5-PYRAZOLONES FUJI PHOTO FILM CO., LTD. (JP) 1978-08-08 US claimed
EP-2978425-B1 FACTOR XIA INHIBITORS MERCK SHARP & DOHME (US) 2017-09-27 EP disclosed
US-20160046581-A1 Factor XIa Inhibitors MERCK SHARP & DOHME CORP. (US) 2016-02-18 US disclosed
US-4105656-A PROCESS FOR PREPARING 3-N-MONOSUBSTITUTED AMINO-4-SUBSTITUTED-5-PYRAZOLONES FUJI PHOTO FILM CO., LTD. (JP) 1978-08-08 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 (1 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-20160046581-A1 Factor XIa Inhibitors F11, F12, TFPI QPCT 2188/4885NAMPT 2823/4885RAB9A 1677/4885

“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.