SCHEMBL20038025

SCHEMBL20038025

Cc1ccc(N2CCNCC(C)(C)C2=O)cn1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.46
DRD3 P35462 1/20 0.39
KCNH2 Q12809 1/20 0.39
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GRM4 Q14833 1/20 0.38
CHRNB2 P17787 4/20 0.34
CHRNA4 P43681 4/20 0.34
P2RX7 Q99572 3/20 0.34
EGLN1 Q9GZT9 2/20 0.34
OPRM1 P35372 1/20 0.33
OPRL1 P41146 1/20 0.33
GAA P10253 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
CCNE1 P24864 1/20 0.31
CDK2 P24941 1/20 0.31
MMP13 P45452 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
SCHEMBL20249282 0.83 RAB9A (0.36) ELANERAB9ASMN1; SMN2CHRNB2CHRNA4
SCHEMBL20038075 0.82 ELANE (0.46) ELANEDRD3KCNH2RAB9ASMN1; SMN2
SCHEMBL255543 0.77 SLC6A2 (0.43) ELANEDRD3KCNH2CHRNB2CHRNA4
SCHEMBL18291654 0.76 PIM1 (0.43) ELANEDRD3KCNH2CHRNB2CHRNA4
SCHEMBL18291199 0.76 EGLN1 (0.46) ELANEDRD3KCNH2EGLN1
SCHEMBL14490582 0.75 DRD3 (0.44) ELANEDRD3KCNH2SMN1; SMN2CHRNB2
SCHEMBL18291196 0.71 CDK4 (0.42) ELANEDRD3KCNH2GRM4CHRNB2
SCHEMBL23173927 0.70 CRBN (0.57) ELANEDRD3KCNH2CHRNB2CHRNA4
SCHEMBL8285968 0.70 DRD3 (0.42) ELANEDRD3KCNH2SMN1; SMN2CHRNB2
SCHEMBL3917325 0.70 CHRNB2 (0.64) 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 ELANE 4674/4885DRD3 1769/4885KCNH2 3160/4885

“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.