SCHEMBL9907985

SCHEMBL9907985

NC(N)=NC(=O)c1ccc2cccc(-c3ccccc3)c2n1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 7/20 0.46
PARP1 P09874 2/20 0.46
PLAU P00749 2/20 0.44
PIM1 P11309 2/20 0.43
BCAT2 O15382 1/20 0.41
KDM4E B2RXH2 1/20 0.41
KMT2A Q03164 1/20 0.41
ASIC3 Q9UHC3 1/20 0.41
HTR2B P41595 2/20 0.40
HTR7 P34969 1/20 0.40

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
SCHEMBL9907329 0.81 KDM4E (0.62) PARP1PIM1KDM4EKMT2A
SCHEMBL9907986 0.78 HTR5A (0.47) SLC9A1PIM1HTR2BHTR7
SCHEMBL9907327 0.74 PDCD1 (0.45) KDM4EKMT2A
SCHEMBL5425136 0.74 MGAM (0.58) SLC9A1KDM4EKMT2A
SCHEMBL7923246 0.72 SLC9A1 (0.55) SLC9A1HTR2BHTR7
SCHEMBL16502777 0.70 HTR2B (0.53) SLC9A1HTR2BHTR7
SCHEMBL27416309 0.70 PARP1 (0.61) PARP1BCAT2KDM4E
SCHEMBL15603374 0.69 SLC9A1 (0.64) SLC9A1HTR2BHTR7
SCHEMBL12858178 0.69 P2RX7 (0.54) SLC9A1PARP1PLAU
SCHEMBL28724659 0.69 ALDH1A1 (0.43) PARP1PLAUKDM4EKMT2A

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 SLC9A1 1181/4885PARP1 1373/4885PLAU 3322/4885

“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.