SCHEMBL9907476

SCHEMBL9907476

Cc1cc(C(=O)O)cc2c(-c3cc(F)ccc3Cl)ccnc12

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 1/20 0.40
MAPK14 Q16539 6/20 0.39
CCNT1 O60563 1/20 0.37
CDK9 P50750 1/20 0.37
AURKA O14965 1/20 0.36
ABL1 P00519 1/20 0.36
RORC P51449 1/20 0.36
CLCN2 P51788 1/20 0.36
MRGPRX4 Q96LA9 1/20 0.36
CYP17A1 P05093 1/20 0.35
CYP1A2 P05177 1/20 0.35
KDM5A P29375 1/20 0.35
KDM4C Q9H3R0 1/20 0.35
KDM5B Q9UGL1 1/20 0.35
EIF4E P06730 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35

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
SCHEMBL9907428 0.91 MAPK14 (0.43) TOP2AMAPK14AURKACYP17A1CYP1A2
SCHEMBL12874622 0.88 MAPK14 (0.39) TOP2AMAPK14CCNT1CDK9ABL1
SCHEMBL9907474 0.87 MAPK14 (0.41) TOP2AMAPK14CCNT1CDK9ABL1
SCHEMBL9907846 0.85 HTR5A (0.47) TOP2A
SCHEMBL9907486 0.81 PTGDR2 (0.38) MAPK14RORCKDM5AKDM4CKDM5B
SCHEMBL9907490 0.81 KMO (0.48) MAPK14RORCMRGPRX4KDM5AKDM4C
SCHEMBL12874645 0.81 HTR5A (0.38) TOP2AMAPK14ABL1
SCHEMBL9907459 0.81 KDM4C (0.45) MRGPRX4KDM4CKDM5B
SCHEMBL9907495 0.81 PTGDR2 (0.41) MRGPRX4KDM5AKDM4CKDM5BEIF4E
SCHEMBL9907467 0.80 PTGDR2 (0.39) RORCMRGPRX4KDM5AKDM4CKDM5B

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-8853242-B2 Nitrogenous-ring acylguanidine derivative ASTELLAS PHARMA INC. (JP) 2014-10-07 US disclosed
US-8853242-B2 Nitrogenous-ring acylguanidine derivative ASTELLAS PHARMA INC. (JP) 2014-10-07 US disclosed
US-20120142727-A1 NITROGENOUS-RING ACYLGUANIDINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2012-06-07 US disclosed
US-20120142727-A1 NITROGENOUS-RING ACYLGUANIDINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2012-06-07 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-20120142727-A1 NITROGENOUS-RING ACYLGUANIDINE DERIVATIVE HTR5A, HTR2A, HTR1E TOP2A 428/4885MAPK14 3810/4885CCNT1 3359/4885

“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.