SCHEMBL20249234

SCHEMBL20249234

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

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 1/20 0.34
PIK3CD O00329 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ELANE P08246 1/20 0.31
NR3C1 P04150 1/20 0.31
CDK4 P11802 2/20 0.31
HSD11B1 P28845 2/20 0.31
AR P10275 1/20 0.31
DPP4 P27487 1/20 0.31
CDK1 P06493 1/20 0.31
CCNT1 O60563 1/20 0.31
CCND1 P24385 1/20 0.31
CCND3 P30281 1/20 0.31
CDK7 P50613 1/20 0.31
CDK9 P50750 1/20 0.31
CCNH P51946 1/20 0.31
MNAT1 P51948 1/20 0.31
CDK6 Q00534 1/20 0.31
CDK5 Q00535 1/20 0.31

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
SCHEMBL20249456 0.89 OPRL1 (0.36) OPRL1PIK3CDELANENR3C1CDK4
SCHEMBL20249282 0.83 RAB9A (0.36) OPRL1RAB9ASMN1; SMN2ELANENR3C1
SCHEMBL18291456 0.82 CHRNB2 (0.36) PIK3CDRAB9ASMN1; SMN2CDK4CCNT1
SCHEMBL20038075 0.82 ELANE (0.46) PIK3CDRAB9ASMN1; SMN2ELANECDK4
SCHEMBL20038045 0.81 RAB9A (0.33) OPRL1PIK3CDRAB9ASMN1; SMN2ELANE
SCHEMBL20249323 0.81 CDK4 (0.42) OPRL1RAB9ACDK4HSD11B1CDK1
SCHEMBL20249255 0.80 CYP1A2 (0.41) OPRL1SMN1; SMN2CDK4HSD11B1DPP4
SCHEMBL20249470 0.78 LIPE (0.40) CDK4
SCHEMBL20249254 0.76 HTR6 (0.40) SMN1; SMN2
SCHEMBL25026927 0.75 CRBN (0.53) OPRL1

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
US-20180161329-A1 PYRIDO[3,4-D]PYRIMIDINE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF TEIJIN PHARMA LIMITED (JP) 2018-06-14 US 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 OPRL1 4655/4885PIK3CD 144/4885RAB9A 2154/4885

“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.