SCHEMBL20038045

SCHEMBL20038045

CC1(C)NCCN(c2ccc(I)nc2)C1=O

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PIK3CD O00329 1/20 0.33
CCNT1 O60563 1/20 0.32
CDK4 P11802 1/20 0.32
CCND1 P24385 1/20 0.32
CCND3 P30281 1/20 0.32
CDK7 P50613 1/20 0.32
CDK9 P50750 1/20 0.32
CCNH P51946 1/20 0.32
MNAT1 P51948 1/20 0.32
CDK6 Q00534 1/20 0.32
CDK5 Q00535 1/20 0.32
CDK5R1 Q15078 1/20 0.32
OPRM1 P35372 1/20 0.30
OPRL1 P41146 1/20 0.30
CHRNB2 P17787 1/20 0.30
CHRNB4 P30926 1/20 0.30
CHRNA3 P32297 1/20 0.30
CHRNA4 P43681 1/20 0.30

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
SCHEMBL20037508 0.84 CDK4 (0.35) PIK3CDCDK4CHRNB2CHRNB4CHRNA3
SCHEMBL18291456 0.84 CHRNB2 (0.36) RAB9ASMN1; SMN2PIK3CDCCNT1CDK4
SCHEMBL20038075 0.84 ELANE (0.46) RAB9ASMN1; SMN2PIK3CDCCNT1CDK4
SCHEMBL20249234 0.81 OPRL1 (0.34) RAB9ASMN1; SMN2PIK3CDCCNT1CDK4
SCHEMBL20255424 0.76 CDK4 (0.40) CDK4CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL18096248 0.75 AR (0.55) CHRNB2CHRNB4CHRNA3CHRNA4ELANE
SCHEMBL19913877 0.74 AR (0.50) RAB9ASMN1; SMN2PIK3CD
SCHEMBL19913872 0.74 AR (0.39) RAB9ASMN1; SMN2PIK3CDOPRL1
SCHEMBL255556 0.74 SLC6A2 (0.43) CDK4CDK6OPRM1OPRL1CHRNB2
SCHEMBL24700453 0.73 DDB1 (0.47) RAB9ASMN1; SMN2ELANE

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 RAB9A 2154/4885SMN1; SMN2 1690/4885PIK3CD 144/4885

“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.