SCHEMBL4285069

SCHEMBL4285069

Cc1ccc(C(=O)Nc2c[nH]nc2C(=O)NC2CCCC2)cn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 2/20 0.45
PRKAB2 O43741 1/20 0.44
PRKAG1 P54619 1/20 0.44
PRKAA2 P54646 1/20 0.44
PRKAA1 Q13131 1/20 0.44
PRKAG3 Q9UGI9 1/20 0.44
PRKAG2 Q9UGJ0 1/20 0.44
PRKAB1 Q9Y478 1/20 0.44
HPGD P15428 2/20 0.44
ALDH1A1 P00352 1/20 0.44
TSHR P16473 1/20 0.44
GSK3B P49841 1/20 0.43
MAPK13 O15264 1/20 0.43
MAPK12 P53778 1/20 0.43
MAPK11 Q15759 1/20 0.43
MAPK14 Q16539 1/20 0.43
NPC1 O15118 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C19 P33261 1/20 0.42
RAB9A P51151 1/20 0.42

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
SCHEMBL5266584 0.82 RAB9A (0.54) HPGDALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL5269272 0.82 KDM4E (0.55) ALDH1A1NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL5424850 0.81 NPC1 (0.62) HPGDALDH1A1TSHRNPC1CYP1A2
SCHEMBL4290398 0.80 GSK3B (0.52) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL5266760 0.80 TRPV1 (0.51) ALDH1A1GSK3BNPC1CYP1A2RAB9A
SCHEMBL4289696 0.80 ALDH1A1 (0.49) ACKR3ALDH1A1NPC1CYP1A2CYP2C19
SCHEMBL5429264 0.80 NPC1 (0.65) HPGDALDH1A1TSHRNPC1CYP1A2
SCHEMBL5429612 0.80 NPC1 (0.65) HPGDALDH1A1TSHRNPC1CYP1A2
SCHEMBL5268963 0.79 LMNA (0.46) HPGDALDH1A1TSHRNPC1CYP1A2
SCHEMBL5428549 0.78 HDAC1 (0.58) HPGDALDH1A1TSHRNPC1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090156582-A1 Pyrazole Compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 US disclosed
EP-1847531-A1 PYRAZOLE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2007-10-24 EP 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-20090156582-A1 Pyrazole Compound GSK3B, GSK3A, GSKIP ACKR3 885/4885PRKAB2 851/4885PRKAG1 557/4885

“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.