SCHEMBL19003627

SCHEMBL19003627

CCCC(CCC)c1cnccn1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.35
CYP2D6 P10635 2/20 0.35
CYP19A1 P11511 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
KDM4E B2RXH2 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
ALDH1A1 P00352 1/20 0.34
HSP90AA1 P07900 1/20 0.33
LONP1 P36776 2/20 0.33
ATM Q13315 1/20 0.33
KCNH2 Q12809 2/20 0.31
CHRM1 P11229 1/20 0.31
HRH1 P35367 1/20 0.31
KCNA5 P22460 1/20 0.31
HTT P42858 1/20 0.31
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
MAPK1 P28482 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
SCHEMBL18881769 0.92 ATM (0.34) POLBCYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL26078416 0.91 KDM4E (0.38) POLBCYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL25430708 0.89 KDM4E (0.40) CYP2D6CYP19A1CYP2C9CYP2C19KDM4E
SCHEMBL26874335 0.89 KDM4E (0.40) CYP2D6CYP19A1CYP2C9CYP2C19KDM4E
SCHEMBL26078436 0.89 KDM4E (0.40) CYP2D6CYP19A1CYP2C9CYP2C19KDM4E
SCHEMBL28802112 0.89 KDM4E (0.32) CYP2D6CYP19A1CYP2C9CYP2C19KDM4E
SCHEMBL21715644 0.86 KDM4E (0.40) POLBCYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL20051941 0.85 KDM4E (0.42) CYP2D6CYP19A1CYP2C9CYP2C19KDM4E
SCHEMBL19261469 0.85 KDM4E (0.42) CYP2D6CYP19A1CYP2C9CYP2C19KDM4E
SCHEMBL25963869 0.85 KDM4E (0.42) CYP2D6CYP19A1CYP2C9CYP2C19KDM4E

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-20230295114-A1 AKT3 MODULATORS Georgiamune Inc. 2023-09-21 US disclosed
EP-3553056-A1 (HETERO)ARYLAMIDE COMPOUND FOR INHIBITING PROTEIN KINASE ACTIVITY Shenzhen Targetrx, Inc. (CN) 2019-10-16 EP disclosed
EP-2938344-B1 PIPERAZINE-SUBSTITUTED [1,2,4]TRIAZOLO[1,5-C]QUINAZOLIN-5-AMINE COMPOUNDS WITH A2A ANTAGONIST PROPERTIES MERCK SHARP & DOHME (US) 2017-06-21 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-20230295114-A1 AKT3 MODULATORS AKT3, AKT2, MTOR POLB 2552/4885CYP2D6 3871/4885CYP19A1 701/4885

“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.