SCHEMBL17532760

SCHEMBL17532760

Cc1cc2cnc3ccccc3c2c(C)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDPK1 O15530 1/20 0.49
▸ KDM4E B2RXH2 5/20 0.48
▸ GPR3 P46089 2/20 0.48
▸ CYP1A2 P05177 5/20 0.46
▸ LMNA P02545 2/20 0.45
▸ HTT P42858 1/20 0.45
▸ CYP2A6 P11509 1/20 0.44
▸ NCF1 P14598 1/20 0.43
▸ TOP2A P11388 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ HPGD P15428 2/20 0.40
▸ POLB P06746 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ HSD17B10 Q99714 2/20 0.38
▸ TSHR P16473 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ OPRM1 P35372 1/20 0.38

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
SCHEMBL17532755 0.79 KDM4E (0.48) PDPK1KDM4EGPR3CYP1A2LMNA
SCHEMBL17532773 0.78 CYP3A4 (0.49) KDM4ECYP1A2LMNAHTTALDH1A1
SCHEMBL18907197 0.77 PDPK1 (0.54) PDPK1KDM4EGPR3CYP1A2TOP2A
SCHEMBL17532758 0.77 CYP2A6 (0.53) PDPK1KDM4EGPR3CYP1A2HTT
SCHEMBL17532765 0.75 GPR3 (0.57) KDM4EGPR3CYP1A2LMNAHTT
SCHEMBL17532759 0.75 CYP1A2 (0.57) PDPK1KDM4EGPR3CYP1A2LMNA
SCHEMBL17532735 0.74 KDM4E (0.50) KDM4ECYP1A2LMNAHTTCYP2A6
SCHEMBL18774823 0.73 GPR3 (0.59) PDPK1KDM4EGPR3CYP1A2LMNA
SCHEMBL23028710 0.71 KDM4E (0.57) PDPK1KDM4EGPR3CYP1A2CYP2A6
SCHEMBL17532777 0.71 CYP1A2 (0.47) KDM4ECYP1A2LMNAHTTCYP2A6

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-9780310-B2 Heterocyclic compound for organic electroluminescent device and its application TOSOH CORPORATION (JP) 2017-10-03 — — US disclosed
US-20160056388-A1 HETEROCYCLIC COMPOUND FOR ORGANIC ELECTROLUMINESCENT DEVICE AND ITS APPLICATION TOSOH CORPORATION (JP) 2016-02-25 — — US disclosed
US-20160056388-A1 HETEROCYCLIC COMPOUND FOR ORGANIC ELECTROLUMINESCENT DEVICE AND ITS APPLICATION TOSOH CORPORATION (JP) 2016-02-25 — — 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-20160056388-A1 HETEROCYCLIC COMPOUND FOR ORGANIC ELECTROLUMINESCENT DEVICE AND ITS APPLICATION AOC2, AZI2, KCNH2 PDPK1 3857/4885KDM4E 995/4885GPR3 3295/4885

“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.

Send feedback