SCHEMBL1367922

SCHEMBL1367922

CC(=O)c1cc(Cl)nc(NC(C)c2ccc(F)cc2)c1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 3/20 0.40
MAPK14 Q16539 2/20 0.40
CSF1R P07333 2/20 0.39
GPR55 Q9Y2T6 3/20 0.39
LIPG Q9Y5X9 1/20 0.39
PRCP P42785 1/20 0.38
HTT P42858 1/20 0.38
NPC1 O15118 1/20 0.38
KMT2A Q03164 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
P2RX3 P56373 1/20 0.38
MAPK1 P28482 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
SCHEMBL1367919 1.00 NTRK1 (0.40) NTRK1MAPK14CSF1RGPR55LIPG
SCHEMBL1368867 0.90 PTGER4 (0.43) NTRK1MAPK14CSF1RNPC1
SCHEMBL1368868 0.90 PTGER4 (0.43) NTRK1MAPK14CSF1RNPC1
SCHEMBL1367405 0.89 SCN9A (0.43) NTRK1CSF1RGPR55PRCPHTT
SCHEMBL27831875 0.83 NTRK1 (0.41) NTRK1MAPK14CSF1RGPR55LIPG
SCHEMBL1365910 0.81 NTRK1 (0.47) NTRK1MAPK14GPR55P2RX3
SCHEMBL1365913 0.81 NTRK1 (0.47) NTRK1MAPK14GPR55P2RX3
SCHEMBL1366562 0.80 GPR55 (0.48) NTRK1MAPK14GPR55
SCHEMBL1366564 0.80 GPR55 (0.48) NTRK1MAPK14GPR55
SCHEMBL19690901 0.79 EGFR (0.46) HTTNPC1KMT2AALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8673891-B2 Aminopyrazine derivative and medicine NIPPON SHINYAKU CO., LTD. (JP) 2014-03-18 US disclosed
EP-2394999-B1 AMINOPYRAZINE DERIVATIVE AND MEDICINE NIPPON SHINYAKU CO LTD (JP) 2014-01-29 EP disclosed
US-8586591-B2 Aminopyrazine derivative and medicine NIPPON SHINYAKU CO., LTD. (JP) 2013-11-19 US disclosed
US-20130131082-A1 Aminopyrazine Derivative and Medicine NIPPON SHINYAKU CO., LTD (JP) 2013-05-23 US disclosed
EP-2394999-A1 AMINOPYRAZINE DERIVATIVE AND MEDICINE Nippon Shinyaku Co., Ltd. (JP) 2011-12-14 EP disclosed
US-20110288065-A1 AMINOPYRAZINE DERIVATIVE AND MEDICINE NIPPON SHINYAKU CO., LTD. (JP) 2011-11-24 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 (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-20130131082-A1 Aminopyrazine Derivative and Medicine MC2R, AGTR2, AGTR1 NTRK1 1477/4885MAPK14 3835/4885CSF1R 365/4885
US-20110288065-A1 AMINOPYRAZINE DERIVATIVE AND MEDICINE MC2R, CNR1, NPY2R NTRK1 1475/4885MAPK14 3642/4885CSF1R 362/4885

“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.