SCHEMBL9907747

SCHEMBL9907747

COC(=O)c1ccc2c(Br)cnc(-c3ccncc3F)c2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 3/20 0.42
PARP1 P09874 1/20 0.42
CSNK2A2 P19784 1/20 0.41
CSNK2B P67870 1/20 0.41
RORC P51449 1/20 0.40
ROCK2 O75116 5/20 0.39
CYP3A4 P08684 3/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
CYP1A2 P05177 1/20 0.39
NOTUM Q6P988 1/20 0.39
DHODH Q02127 1/20 0.39
HTR5A P47898 2/20 0.39
RAB9A P51151 1/20 0.38
ROCK1 Q13464 1/20 0.38
CYP19A1 P11511 1/20 0.37
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GPBAR1 Q8TDU6 1/20 0.37

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
SCHEMBL9907665 0.90 HTR5A (0.47) CSNK2A1PARP1CSNK2A2CSNK2BRORC
SCHEMBL9907765 0.88 HTR5A (0.51) CSNK2A1PARP1CSNK2A2CSNK2BRORC
SCHEMBL9907668 0.87 HTR5A (0.49) CSNK2A1PARP1CSNK2A2CSNK2BRORC
SCHEMBL9907722 0.86 HTR5A (0.52) PARP1CSNK2A2CSNK2BNOTUMHTR5A
SCHEMBL9908023 0.85 HTR5A (0.50) PARP1RORCNOTUMHTR5ARAB9A
SCHEMBL9907774 0.85 HTR5A (0.51) CSNK2A1PARP1CSNK2A2CSNK2BCYP3A4
SCHEMBL9907625 0.81 HTR5A (0.51) NOTUMHTR5ARAB9AALDH1A1
SCHEMBL9102359 0.81 HTR5A (0.51) CSNK2A1PARP1CYP3A4CYP2C9CYP2C19
SCHEMBL9907648 0.80 HTR5A (0.50) CSNK2A1PARP1CSNK2A2CSNK2BRORC
SCHEMBL9907723 0.77 HTR5A (0.49) CSNK2A1NOTUMHTR5AALDH1A1GPBAR1

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 6 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
WO-2011016504-A1 NITROGENOUS-RING ACYLGUANIDINE DERIVATIVE アステラス製薬株式会社 (JP) 2011-02-10 WO 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 CSNK2A1 4309/4885PARP1 1373/4885CSNK2A2 4132/4885

“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.