SCHEMBL20037477

SCHEMBL20037477

OCCN1CCc2nc(I)ccc2C1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PDCD1 Q15116 13/20 0.47
▸ CD274 Q9NZQ7 13/20 0.47
▸ CDK4 P11802 2/20 0.38
▸ FLT3 P36888 2/20 0.38
▸ CDK1 P06493 1/20 0.36
▸ CDK2 P24941 1/20 0.36
▸ CDK7 P50613 1/20 0.36
▸ CDK9 P50750 1/20 0.36
▸ CDK6 Q00534 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ JAK2 O60674 1/20 0.36
▸ PNMT P11086 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
SCHEMBL18819902 0.82 PDCD1 (0.52) PDCD1CD274CDK4FLT3CDK1
SCHEMBL18291526 0.81 CDK4 (0.40) PDCD1CD274CDK4CDK1CDK2
SCHEMBL20038551 0.81 CDK4 (0.42) CDK4CDK1CDK2CDK7CDK9
SCHEMBL20038618 0.79 CD274 (0.47) PDCD1CD274CDK4CDK2CDK6
SCHEMBL21414365 0.79 PDCD1 (0.47) PDCD1CD274CDK4FLT3CDK1
SCHEMBL30916126 0.78 PDCD1 (0.54) PDCD1CD274
SCHEMBL18806168 0.78 PDCD1 (0.47) PDCD1CD274CDK4FLT3CDK1
SCHEMBL20255719 0.78 PDCD1 (0.47) PDCD1CD274CDK4FLT3CDK1
SCHEMBL20249376 0.78 PDCD1 (0.47) PDCD1CD274CDK4FLT3CDK1
SCHEMBL13100451 0.77 MEN1 (0.61) MAPTPNMT

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 1164/4885CDK4 1/4885

“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.

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