SCHEMBL20037754

SCHEMBL20037754

OC1CN(Cc2ccc(I)nc2)C1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 4/20 0.41
CD274 Q9NZQ7 4/20 0.41
LTA4H P09960 2/20 0.40
FUCA1 P04066 2/20 0.38
ALDH1A1 P00352 1/20 0.37
BRD4 O60885 1/20 0.37
CDK1 P06493 1/20 0.36
CDK2 P24941 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ATM Q13315 1/20 0.35
MCHR1 Q99705 1/20 0.35

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
SCHEMBL20255702 0.88 ALDH1A1 (0.47) PDCD1CD274LTA4HALDH1A1NPC1
SCHEMBL20255353 0.88 ALDH1A1 (0.47) PDCD1CD274LTA4HALDH1A1NPC1
SCHEMBL18291479 0.85 ALDH1A1 (0.58) LTA4HALDH1A1MCHR1
SCHEMBL20037672 0.85 ALDH1A1 (0.58) LTA4HALDH1A1MCHR1
SCHEMBL20037663 0.85 ALDH1A1 (0.58) LTA4HALDH1A1MCHR1
SCHEMBL18291538 0.84 RAB9A (0.52) PDCD1CD274LTA4HALDH1A1NPC1
SCHEMBL20037938 0.81 PDE1B (0.36) MEN1KMT2AATM
SCHEMBL18291572 0.80 BRD4 (0.45) PDCD1CD274LTA4HBRD4MEN1
SCHEMBL18587341 0.77 FUCA1 (0.47) FUCA1ALDH1A1BRD4
SCHEMBL20249107 0.76 CCR9 (0.41) PDCD1CD274LTA4HBRD4CDK1

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 PDCD1 344/4885CD274 1164/4885LTA4H 3374/4885

“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.