SCHEMBL20149586

SCHEMBL20149586

CCn1c(C(C)C)cccc1=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.37
CDK4 P11802 2/20 0.36
CCND1 P24385 2/20 0.36
CCND2 P30279 2/20 0.36
CCND3 P30281 2/20 0.36
KDM4E B2RXH2 7/20 0.35
CYP1A2 P05177 3/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
MAPT P10636 2/20 0.34
HPGD P15428 2/20 0.34
HSD17B10 Q99714 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
LMNA P02545 1/20 0.34
MAPK1 P28482 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
CCNB2 O95067 1/20 0.34
CCNE2 O96020 1/20 0.34
CDK1 P06493 1/20 0.34

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
SCHEMBL23969295 0.82 KDM4E (0.38) ALDH1A1CDK4CCND1CCND2CCND3
SCHEMBL23566145 0.77 ALDH1A1 (0.37) ALDH1A1CDK4CCND1CCND2CCND3
SCHEMBL18595554 0.75 ALDH1A1 (0.32) ALDH1A1KDM4EMAPTHPGDHSD17B10
SCHEMBL13171705 0.73 PDE7A (0.37) ALDH1A1CDK4CCND1CCND2CCND3
SCHEMBL9545148 0.72 POLB (0.48) ALDH1A1CDK4CCND1CCND2CCND3
SCHEMBL2625521 0.72 CA9 (0.38) ALDH1A1KDM4ECYP1A2MEN1KMT2A
SCHEMBL19696361 0.72 ADORA2A (0.32) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL2741639 0.71 POLB (0.36) ALDH1A1CDK4CCND1CCND2CCND3
SCHEMBL21764021 0.71 KDM4E (0.35) ALDH1A1KDM4ECYP1A2KMT2AMAPT
SCHEMBL8223402 0.71 ALDH1A1 (0.39) ALDH1A1CDK4CCND1CCND2CCND3

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
EP-2880033-B1 CYCLIC UREA- OR LACTAM-SUBSTITUTED QUINOXALINE-TYPE PIPERIDINE COMPOUNDS AND THE USES THEREOF PURDUE PHARMA LP (US) 2020-06-17 EP disclosed
US-20180133213-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA INC. 2018-05-17 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-20180133213-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, ROR1, BRAF ALDH1A1 2868/4885CDK4 153/4885CCND1 1711/4885

“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.