SCHEMBL20038031

SCHEMBL20038031

NC1CCCCN(c2ccc(I)nc2)C1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 3/20 0.39
AKR1C3 P42330 5/20 0.39
PIM3 Q86V86 2/20 0.34
PIM2 Q9P1W9 2/20 0.34
HRH3 Q9Y5N1 3/20 0.33
DPP4 P27487 1/20 0.32
HRH1 P35367 1/20 0.31
CYP3A4 P08684 1/20 0.30
TSHR P16473 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
MAPT P10636 1/20 0.30
APEX1 P27695 1/20 0.30
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 0.30
HTR2B P41595 1/20 0.30
BMPR1B O00238 1/20 0.30
BMPR1A P36894 1/20 0.30
TGFBR1 P36897 1/20 0.30
ACVRL1 P37023 1/20 0.30
ACVR1 Q04771 1/20 0.30

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
SCHEMBL20255254 0.96 PIM1 (0.40) PIM1AKR1C3PIM3PIM2HRH3
SCHEMBL20038032 0.83 PIM1 (0.41) PIM1AKR1C3PIM3PIM2HRH3
SCHEMBL18291533 0.81 PIM1 (0.41) PIM1AKR1C3PIM3PIM2HRH3
SCHEMBL20249285 0.80 AKR1C3 (0.39) PIM1AKR1C3PIM3PIM2FPR1
SCHEMBL20037639 0.80 AKR1C3 (0.39) PIM1AKR1C3PIM3PIM2HRH3
SCHEMBL20255140 0.80 AKR1C3 (0.39) AKR1C3FPR1FPR2
SCHEMBL28830947 0.76 PIM1 (0.47) PIM1FPR1FPR2
SCHEMBL29819531 0.76 PIM1 (0.47) PIM1FPR1FPR2
SCHEMBL12527658 0.76 PIM1 (0.47) PIM1FPR1FPR2
SCHEMBL28830946 0.76 PIM1 (0.47) PIM1FPR1FPR2

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 2 patents. 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
EP-3305785-A1 PYRIDO[3,4-d]PYRIMIDINE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF Teijin Pharma Limited (JP) 2018-04-11 EP 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 PIM1 596/4885AKR1C3 2289/4885PIM3 653/4885

“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.