SCHEMBL20038551

SCHEMBL20038551

CN(C)CCN1CCc2nc(I)ccc2C1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK4 P11802 14/20 0.42
▸ CCND3 P30281 13/20 0.42
▸ CDK6 Q00534 13/20 0.42
▸ CDK2 P24941 12/20 0.40
▸ CCNA2 P20248 11/20 0.40
▸ CDK1 P06493 8/20 0.40
▸ CDK7 P50613 8/20 0.40
▸ CDK9 P50750 8/20 0.40
▸ CDK5 Q00535 7/20 0.40
▸ CHEK1 O14757 1/20 0.40
▸ CCNT1 O60563 1/20 0.40
▸ JAK2 O60674 1/20 0.40
▸ CHEK2 O96017 1/20 0.40
▸ EGFR P00533 1/20 0.40
▸ RAF1 P04049 1/20 0.40
▸ NTRK1 P04629 1/20 0.40
▸ PDGFRB P09619 1/20 0.40
▸ SRC P12931 1/20 0.40
▸ CCNB1 P14635 1/20 0.40
▸ BRAF P15056 1/20 0.40

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
SCHEMBL18291660 0.84 CDK4 (0.44) CDK4CCND3CDK6CDK2CCNA2
SCHEMBL20038535 0.83 HRH3 (0.33) CDK4CCND3CDK6CDK2CCNA2
SCHEMBL20038383 0.82 LMNA (0.34) CDK4CCND3CDK6CDK2CCNA2
SCHEMBL20037477 0.81 PDCD1 (0.47) CDK4CDK6CDK2CDK1CDK7
SCHEMBL20249391 0.81 CDK4 (0.42) CDK4CCND3CDK6CDK2CCNA2
SCHEMBL20203553 0.81 CDK4 (0.48) CDK4CCND3CDK6CDK2CCNA2
SCHEMBL18291526 0.81 CDK4 (0.40) CDK4CCND3CDK6CDK2CDK1
SCHEMBL21414338 0.78 CDK4 (0.42) CDK4CCND3CDK6CDK2CCNA2
SCHEMBL20356369 0.76 CDK4 (0.41) CDK4CCND3CDK6CDK2CCNA2
SCHEMBL21985979 0.76 CYP2C9 (0.47) KCNH2MAPT

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 CDK4 1/4885CCND3 44/4885CDK6 2/4885

“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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