SCHEMBL17532762

SCHEMBL17532762

Cc1cc2nc(C)c3ccccc3c2c(C)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR3 P46089 1/20 0.53
▸ KDM4E B2RXH2 4/20 0.49
▸ LMNA P02545 2/20 0.49
▸ HTT P42858 1/20 0.49
▸ CYP1A2 P05177 3/20 0.46
▸ ALDH1A1 P00352 4/20 0.44
▸ HPGD P15428 3/20 0.44
▸ HSD17B10 Q99714 2/20 0.44
▸ NUDT1 P36639 1/20 0.44
▸ NCF1 P14598 2/20 0.43
▸ MAPT P10636 2/20 0.41
▸ OPRM1 P35372 1/20 0.41
▸ OPRD1 P41143 1/20 0.41
▸ UHRF1 Q96T88 1/20 0.41
▸ GAA P10253 2/20 0.39
▸ POLB P06746 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ TSHR P16473 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
SCHEMBL17532765 0.79 GPR3 (0.57) GPR3KDM4ELMNAHTTCYP1A2
SCHEMBL17532755 0.77 KDM4E (0.48) GPR3KDM4ELMNAHTTCYP1A2
SCHEMBL17532761 0.73 GPR3 (0.53) GPR3KDM4ELMNACYP1A2ALDH1A1
SCHEMBL637928 0.73 CYP2A6 (0.50) GPR3KDM4ELMNAHTTCYP1A2
SCHEMBL28311772 0.72 GPR3 (0.57) GPR3CYP1A2ALDH1A1HPGDHSD17B10
SCHEMBL17532747 0.72 GPR3 (0.57) GPR3KDM4ELMNACYP1A2ALDH1A1
Ammonia Solution, Strong SCHEMBL13730044 0.71 CYP2A6 (0.48) GPR3KDM4ELMNAHTTCYP1A2
Hydrochloric Acid SCHEMBL28363251 0.71 MAPT (0.50) GPR3KDM4ELMNAHTTCYP1A2
SCHEMBL3256104 0.71 GPR3 (0.61) GPR3CYP1A2ALDH1A1HPGDHSD17B10
SCHEMBL18266934 0.71 SYK (0.47) GPR3KDM4ELMNACYP1A2ALDH1A1

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 GPR3 3295/4885KDM4E 995/4885LMNA 2238/4885

“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