SCHEMBL20037555

SCHEMBL20037555

CC1(C)CN(c2ccc(I)nc2)CCN1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 13/20 0.44
CCND1 P24385 3/20 0.44
CDK6 Q00534 3/20 0.44
CDK2 P24941 2/20 0.42
CDK1 P06493 1/20 0.42
CCNB1 P14635 1/20 0.42
CCNA2 P20248 1/20 0.42
CCNA1 P78396 1/20 0.42
CHRNB2 P17787 3/20 0.42
CHRNA4 P43681 3/20 0.42
CHRNB4 P30926 1/20 0.42
CHRNA3 P32297 1/20 0.42
HDAC1 Q13547 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
SCHEMBL13769162 0.82 CDK4 (0.44) CDK4CCND1CDK6CDK2CDK1
SCHEMBL20249102 0.80 CDK4 (0.43) CDK4CCND1CDK6CDK2CDK1
SCHEMBL23561133 0.78 CDK4 (0.40) CDK4CCND1CDK6CDK2CDK1
SCHEMBL20255216 0.78 CHRNB2 (0.36) CDK4CCND1CDK6CDK2CHRNB2
SCHEMBL28075623 0.77 MAPT (0.57) CDK4CCND1CDK6CDK2CDK1
SCHEMBL18101491 0.76 CHRNB2 (0.64) CDK4CCND1CHRNB2CHRNA4
SCHEMBL25738417 0.75 HDAC1 (0.44) CDK4CCND1CDK6CDK2CDK1
SCHEMBL82562 0.74 ADRB1 (0.56) CDK4CCND1CDK6CDK2CCNA2
SCHEMBL20255149 0.74 CHRNB2 (0.44) CDK4CCND1CDK6CDK2CDK1
SCHEMBL5654831 0.74 CHRNB2 (0.68) CHRNB2CHRNA4

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 1/4885CCND1 32/4885CDK6 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.