SCHEMBL20037475

SCHEMBL20037475

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.54
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ NLRP3 Q96P20 1/20 0.44
▸ CDK4 P11802 9/20 0.42
▸ CDK6 Q00534 9/20 0.42
▸ CDK2 P24941 8/20 0.42
▸ CDK1 P06493 5/20 0.42
▸ CDK7 P50613 5/20 0.42
▸ CDK9 P50750 5/20 0.42
▸ CCNB1 P14635 1/20 0.42
▸ CCNE1 P24864 1/20 0.42
▸ NAMPT P43490 1/20 0.39
▸ QRFPR Q96P65 1/20 0.38
▸ TLR9 Q9NR96 1/20 0.37
▸ TLR8 Q9NR97 1/20 0.37
▸ TLR7 Q9NYK1 1/20 0.37
▸ GABRG2 P18507 1/20 0.37
▸ GABRB3 P28472 1/20 0.37
▸ GABRA5 P31644 1/20 0.37

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
SCHEMBL18291537 0.84 CDK4 (0.41) KDM4EMEN1KMT2ACDK4CDK6
SCHEMBL20249401 0.82 KDM4E (0.52) KDM4EMEN1KMT2ANLRP3CDK4
SCHEMBL20038559 0.80 CDK1 (0.45) KDM4ECDK4CDK6CDK2CDK1
SCHEMBL20255470 0.77 PDGFRB (0.40) ALDH1A1
SCHEMBL20037472 0.74 DPP7 (0.49) —
SCHEMBL20038551 0.72 CDK4 (0.42) MEN1KMT2ACDK4CDK6CDK2
SCHEMBL22547424 0.72 KDM4E (0.65) KDM4EMEN1KMT2ANLRP3ALDH1A1
SCHEMBL22860595 0.72 KDM4E (0.65) KDM4EMEN1KMT2ANLRP3ALDH1A1
SCHEMBL14853128 0.72 KDM4E (0.51) KDM4EMEN1KMT2ANLRP3CDK4
SCHEMBL19650449 0.71 KDM4E (0.64) KDM4EMEN1KMT2ANLRP3ALOX15

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 KDM4E 470/4885MEN1 2609/4885KMT2A 670/4885

“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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