SCHEMBL9907334

SCHEMBL9907334

COC(=O)c1ccc2ccnc(-c3ccccc3)c2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.49
CYP11B1 P15538 1/20 0.49
CYP11B2 P19099 1/20 0.49
ALOX15 P16050 1/20 0.48
HTT P42858 1/20 0.48
KDM4E B2RXH2 2/20 0.47
KDM6B O15054 1/20 0.47
KDM5C P41229 1/20 0.47
KDM4C Q9H3R0 1/20 0.47
KDM2A Q9Y2K7 1/20 0.47
KDM3A Q9Y4C1 1/20 0.47
RAF1 P04049 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
ALDH1A1 P00352 2/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
NPC1 O15118 1/20 0.44
HPGD P15428 1/20 0.44
RAB9A P51151 1/20 0.44
MAPK1 P28482 1/20 0.44

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
SCHEMBL9907335 0.84 PLAU (0.55) KDM4EKDM6BKDM5CKDM4CKDM2A
SCHEMBL9907365 0.81 TP53 (0.47) CYP19A1CYP11B1CYP11B2ALOX15HTT
SCHEMBL16502716 0.81 ALDH1A1 (0.48) CYP19A1CYP11B1CYP11B2ALOX15HTT
SCHEMBL12875031 0.81 ALOX15 (0.45) CYP19A1CYP11B1CYP11B2ALOX15HTT
SCHEMBL9907378 0.79 ALOX15 (0.41) CYP19A1CYP11B1CYP11B2ALOX15HTT
SCHEMBL9909154 0.79 F10 (0.48) CYP19A1CYP11B1CYP11B2ALOX15HTT
SCHEMBL9106372 0.79 LCK (0.51) CYP19A1CYP11B1CYP11B2ALOX15HTT
SCHEMBL9907320 0.79 DYRK1A (0.56) CYP19A1CYP11B1CYP11B2ALOX15HTT
SCHEMBL9100686 0.78 HTT (0.44) CYP19A1CYP11B1CYP11B2ALOX15HTT
SCHEMBL9907376 0.78 TP53 (0.44) CYP19A1CYP11B1CYP11B2ALOX15HTT

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 5 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
EP-2463276-A1 NITROGENOUS-RING ACYLGUANIDINE DERIVATIVE Astellas Pharma Inc. (JP) 2012-06-13 EP 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 CYP19A1 1353/4885CYP11B1 1230/4885CYP11B2 1061/4885

“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.