SCHEMBL20038559

SCHEMBL20038559

CN(C)CCOC(=O)N1CCc2nc(I)ccc2C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK1 P06493 1/20 0.45
▸ CDK4 P11802 1/20 0.45
▸ CDK2 P24941 1/20 0.45
▸ CDK7 P50613 1/20 0.45
▸ CDK9 P50750 1/20 0.45
▸ CDK6 Q00534 1/20 0.45
▸ FNTA P49354 1/20 0.44
▸ FNTB P49356 1/20 0.44
▸ HSP90AA1 P07900 2/20 0.41
▸ HSP90B1 P14625 2/20 0.41
▸ DHFR P00374 1/20 0.40
▸ MAPT P10636 3/20 0.39
▸ MGLL Q99685 1/20 0.39
▸ ABHD6 Q9BV23 1/20 0.39
▸ TMEM97 Q5BJF2 3/20 0.36
▸ SIGMAR1 Q99720 3/20 0.36
▸ BCHE P06276 1/20 0.36
▸ QRFPR Q96P65 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.35
▸ GABRG2 P18507 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
SCHEMBL20249495 0.84 CDK1 (0.44) CDK1CDK4CDK2CDK7CDK9
SCHEMBL20037475 0.80 KDM4E (0.54) CDK1CDK4CDK2CDK7CDK9
SCHEMBL20038535 0.75 HRH3 (0.33) CDK1CDK4CDK2CDK7CDK9
SCHEMBL18291537 0.74 CDK4 (0.41) CDK1CDK4CDK2CDK7CDK9
SCHEMBL20255470 0.73 PDGFRB (0.40) —
SCHEMBL20038551 0.73 CDK4 (0.42) CDK1CDK4CDK2CDK7CDK9
SCHEMBL28165437 0.71 DHFR (0.43) HSP90AA1HSP90B1DHFRMAPTTMEM97
SCHEMBL21956030 0.71 ABHD6 (0.44) CDK1CDK4CDK2CDK7CDK9
SCHEMBL20037472 0.70 DPP7 (0.49) —
SCHEMBL23854680 0.67 DHFR (0.60) DHFRTMEM97SIGMAR1

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 CDK1 8/4885CDK4 1/4885CDK2 4/4885

“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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