SCHEMBL19009239

SCHEMBL19009239

Cc1cncc(-c2cc(-c3ccncc3)cc(-c3ccncc3)c2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 4/20 0.56
MAPT P10636 2/20 0.46
LMNA P02545 1/20 0.46
CYP11B1 P15538 2/20 0.44
CYP11B2 P19099 2/20 0.44
GRM5 P41594 1/20 0.43
CYP1A1 P04798 1/20 0.41
CYP1B1 Q16678 1/20 0.41
AURKA O14965 1/20 0.40
TTK P33981 1/20 0.40
AURKB Q96GD4 1/20 0.40
INCENP Q9NQS7 1/20 0.40
NPC1 O15118 1/20 0.40
GAA P10253 1/20 0.40
RAB9A P51151 1/20 0.40
NOTUM Q6P988 1/20 0.39
PDGFRB P09619 2/20 0.39
PDGFRA P16234 2/20 0.39
FYN P06241 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL11690500 0.96 CYP2A6 (0.60) CYP2A6MAPTLMNACYP11B1CYP11B2
SCHEMBL12068479 0.87 MAPT (0.61) CYP2A6MAPTLMNAGRM5CYP1A1
SCHEMBL17264889 0.87 MKNK1 (0.47) CYP2A6CYP11B1CYP11B2GRM5KIF11
SCHEMBL12339151 0.85 NPC1 (0.49) CYP2A6MAPTLMNAGRM5AURKA
SCHEMBL12070457 0.84 MAPT (0.58) MAPTLMNACYP11B1NPC1GAA
SCHEMBL11888378 0.84 CYP2A6 (0.61) CYP2A6CYP11B1CYP11B2TDO2
SCHEMBL11996127 0.84 MAPT (0.58) MAPTLMNACYP11B1NPC1GAA
SCHEMBL20358136 0.84 MAPT (0.65) CYP2A6MAPTLMNAGRM5AURKA
SCHEMBL3426054 0.84 CYP2A6 (0.59) CYP2A6CYP11B1CYP11B2CYP1A1CYP1B1
SCHEMBL3421746 0.84 CYP2A6 (0.59) CYP2A6CYP11B1CYP11B2CYP1A1CYP1B1

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-10597403-B2 Condensed cyclic compound, composition including the condensed cyclic compound, organic light-emitting device including the condensed cyclic compound, and method of manufacturing the organic light-emitting device SAMSUNG ELECTRONICS CO., LTD. (KR) 2020-03-24 US disclosed
US-20170174705-A1 CONDENSED CYCLIC COMPOUND, COMPOSITION INCLUDING THE CONDENSED CYCLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE CONDENSED CYCLIC COMPOUND, AND METHOD OF MANUFACTURING THE ORGANIC LIGHT-EMITTING DEVICE SAMSUNG ELECTRONICS CO., LTD. (KR) 2017-06-22 US disclosed
US-20170174705-A1 CONDENSED CYCLIC COMPOUND, COMPOSITION INCLUDING THE CONDENSED CYCLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE CONDENSED CYCLIC COMPOUND, AND METHOD OF MANUFACTURING THE ORGANIC LIGHT-EMITTING DEVICE SAMSUNG ELECTRONICS CO., LTD. (KR) 2017-06-22 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 (2 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-20170174705-A1 CONDENSED CYCLIC COMPOUND, COMPOSITION INCLUDING THE CONDENSED CYCLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE CONDENSED CYCLIC COMPOUND, AND METHOD OF MANUFACTURING THE ORGANIC LIGHT-EMITTING DEVICE CRY1, C9, CRY2 CYP2A6 1905/4885MAPT 1416/4885LMNA 1601/4885
US-10597403-B2 Condensed cyclic compound, composition including the condensed cyclic compound, organic light-emitting device including the condensed cyclic compound, and method of manufacturing the organic light-emitting device CRY1, C9, CRY2 CYP2A6 1905/4885MAPT 1416/4885LMNA 1601/4885

“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.