SCHEMBL1504532

SCHEMBL1504532

Cc1ccc(C(=O)Nc2ccn(C)n2)cc1NC(=O)c1ccc(=O)n(-c2c(F)cccc2F)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
MAPK14 Q16539 4/20 0.44
ACSS2 Q9NR19 1/20 0.41
POLB P06746 2/20 0.40
KDM4E B2RXH2 1/20 0.40
GCK P35557 3/20 0.40
LCK P06239 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
RIPK2 O43353 1/20 0.39
MAPK8 P45983 1/20 0.39
MAPK10 P53779 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
MAPT P10636 1/20 0.38
RPS6KA3 P51812 1/20 0.38
RPS6KA2 Q15349 1/20 0.38
DDR1 Q08345 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
SCHEMBL1504401 0.90 NPC1 (0.47) NPC1RAB9AMAPK14ACSS2GCK
SCHEMBL1504645 0.90 NPC1 (0.47) NPC1RAB9AMAPK14ACSS2GCK
SCHEMBL1504576 0.83 MAPK14 (0.41) MAPK14POLBKDM4ELCKCYP2C9
SCHEMBL1504740 0.83 MAPK14 (0.57) MAPK14LCKCYP2C9CYP2C19
SCHEMBL1504623 0.82 MAPK14 (0.43) RAB9AMAPK14POLBKDM4EHDAC1
SCHEMBL1504614 0.81 MAPK14 (0.58) RAB9AMAPK14POLBKDM4ELCK
SCHEMBL1504561 0.81 NPC1 (0.50) NPC1RAB9AMAPK8MAPK10HDAC1
SCHEMBL1504478 0.80 MAPK14 (0.56) MAPK14
SCHEMBL1504714 0.80 KDM4E (0.47) RAB9AMAPK14KDM4ELCKCYP2C9
SCHEMBL1504728 0.80 SMN1; SMN2 (0.56) NPC1MAPK14LCKMAPTDDR1

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-8173684-B2 Pyridone derivatives as p38α MAPK inhibitors ASTELLAS PHARMA INC. (JP) 2012-05-08 US disclosed
US-8173684-B2 Pyridone derivatives as p38α MAPK inhibitors ASTELLAS PHARMA INC. (JP) 2012-05-08 US disclosed
US-8173684-B2 Pyridone derivatives as p38α MAPK inhibitors ASTELLAS PHARMA INC. (JP) 2012-05-08 US disclosed
EP-2155683-B1 PYRIDONE DERIVATIVES AS P38A MAPK INHIBITORS ASTELLAS PHARMA INC (JP) 2011-03-16 EP disclosed
US-20100063098-A1 PYRIDONE DERIVATIVES AS P38A MAPK INHIBITORS ASTELLAS PHARMA INC. (JP) 2010-03-11 US disclosed
US-20100063098-A1 PYRIDONE DERIVATIVES AS P38A MAPK INHIBITORS ASTELLAS PHARMA INC. (JP) 2010-03-11 US disclosed
US-20100063098-A1 PYRIDONE DERIVATIVES AS P38A MAPK INHIBITORS ASTELLAS PHARMA INC. (JP) 2010-03-11 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-20100063098-A1 PYRIDONE DERIVATIVES AS P38A MAPK INHIBITORS MAPK1, MAPK6, MAPK3 NPC1 4090/4885RAB9A 1797/4885MAPK14 25/4885

“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.