SCHEMBL18291394

SCHEMBL18291394

Cc1ccc(CN2CCCC(O)C2)cn1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.58
HTT P42858 2/20 0.49
LTA4H P09960 1/20 0.46
TSHR P16473 1/20 0.45
KDM4E B2RXH2 1/20 0.45
POLB P06746 1/20 0.45
HPGD P15428 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
AKT1 P31749 1/20 0.45
GAA P10253 1/20 0.44
XBP1 P17861 1/20 0.44
MAPK1 P28482 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
CDK4 P11802 1/20 0.44
CDK6 Q00534 1/20 0.44
CHEK1 O14757 1/20 0.44
ACHE P22303 1/20 0.44
HSP90AA1 P07900 1/20 0.44
MCHR1 Q99705 4/20 0.43
CHRM1 P11229 1/20 0.43

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
SCHEMBL20038553 1.00 ALDH1A1 (0.58) ALDH1A1HTTLTA4HTSHRKDM4E
SCHEMBL20037831 0.96 ALDH1A1 (0.54) ALDH1A1HTTLTA4HTSHRKDM4E
SCHEMBL20038483 0.89 ALDH1A1 (0.49) ALDH1A1LTA4HKDM4EGAAACHE
SCHEMBL18291572 0.85 BRD4 (0.45) LTA4HCHRM1
SCHEMBL18291766 0.83 ALDH1A1 (0.58) ALDH1A1HTTLTA4HTSHRKDM4E
SCHEMBL18291757 0.83 ALDH1A1 (0.58) ALDH1A1HTTLTA4HTSHRKDM4E
SCHEMBL20037672 0.83 ALDH1A1 (0.58) ALDH1A1HTTLTA4HTSHRKDM4E
SCHEMBL18291479 0.83 ALDH1A1 (0.58) ALDH1A1HTTLTA4HTSHRKDM4E
SCHEMBL20037663 0.83 ALDH1A1 (0.58) ALDH1A1HTTLTA4HTSHRKDM4E
SCHEMBL18291758 0.83 ALDH1A1 (0.58) ALDH1A1HTTLTA4HTSHRKDM4E

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 3 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
WO-2016194831-A1 PYRIDO[3,4-d]PYRIMIDINE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF 帝人ファーマ株式会社 2016-12-08 WO 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 ALDH1A1 944/4885HTT 3754/4885LTA4H 3374/4885

“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.