SCHEMBL20255140

SCHEMBL20255140

CNC1CCCCN(c2ccc(I)nc2)C1=O

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.39
FPR2 P25090 15/20 0.37
FPR1 P21462 8/20 0.37
ROCK2 O75116 3/20 0.34
CDK4 P11802 1/20 0.33

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
SCHEMBL20038031 0.80 PIM1 (0.39) AKR1C3FPR2FPR1
SCHEMBL18955175 0.80 FPR2 (0.45) FPR2FPR1
SCHEMBL18955177 0.80 FPR2 (0.45) FPR2FPR1
SCHEMBL18955245 0.80 FPR2 (0.45) FPR2FPR1
SCHEMBL14171455 0.78 DRD2 (0.46) FPR2FPR1ROCK2
SCHEMBL14171465 0.77 DRD2 (0.42) FPR2FPR1ROCK2
SCHEMBL14171468 0.76 CA12 (0.45) FPR2FPR1ROCK2
SCHEMBL18964487 0.76 FPR2 (0.43) FPR2FPR1
SCHEMBL28377662 0.76 FPR2 (0.43) FPR2FPR1
SCHEMBL30133743 0.76 FPR2 (0.43) FPR2FPR1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180161329-A1 PYRIDO[3,4-D]PYRIMIDINE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF TEIJIN PHARMA LIMITED (JP) 2018-06-14 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-20180161329-A1 PYRIDO[3,4-D]PYRIMIDINE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF CDK4, CDK6, CDK16 AKR1C3 2289/4885FPR2 4846/4885FPR1 4774/4885

“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.