SCHEMBL17636876

SCHEMBL17636876

N#Cc1ccc(-c2nnc(-c3ccc(C#N)cc3)n2-c2cccc3c4ccccc4n(-c4cccc(-n5c6ccccc6c6ccccc65)c4)c23)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.41
HIF1A Q16665 1/20 0.41
LMNA P02545 2/20 0.39
MAPK1 P28482 2/20 0.39
ALDH1A1 P00352 2/20 0.39
HPGD P15428 1/20 0.39
TNKS2 Q9H2K2 2/20 0.38
ATM Q13315 2/20 0.36
MAPT P10636 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
KDM4E B2RXH2 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
OPRD1 P41143 1/20 0.34
TNKS O95271 1/20 0.34
PTGER4 P35408 2/20 0.33
TDP2 O95551 1/20 0.33
GAA P10253 1/20 0.33
HTT P42858 1/20 0.33
PDPK1 O15530 1/20 0.33

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
SCHEMBL17636877 0.89 SMN1; SMN2 (0.41) SMN1; SMN2HIF1ALMNAMAPK1ALDH1A1
SCHEMBL17636712 0.87 KDM4E (0.45) SMN1; SMN2HIF1ALMNAMAPK1ALDH1A1
SCHEMBL17636819 0.87 MAPK1 (0.43) SMN1; SMN2LMNAMAPK1ALDH1A1HPGD
SCHEMBL17636893 0.85 SMN1; SMN2 (0.47) SMN1; SMN2HIF1ALMNAMAPK1ALDH1A1
SCHEMBL17636823 0.85 HPGD (0.47) SMN1; SMN2HIF1ALMNAMAPK1ALDH1A1
SCHEMBL17636891 0.84 MAPK1 (0.46) SMN1; SMN2LMNAMAPK1ALDH1A1HPGD
SCHEMBL17636901 0.83 PDPK1 (0.38) ALDH1A1HPGDATMMEN1KMT2A
SCHEMBL17636884 0.83 MAPK1 (0.45) SMN1; SMN2LMNAMAPK1ALDH1A1HPGD
SCHEMBL17636817 0.81 TDO2 (0.39) SMN1; SMN2HIF1ALMNAALDH1A1HPGD
SCHEMBL18347487 0.80 ATM (0.39) ALDH1A1ATMMEN1KMT2AKDM4E

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
US-9960365-B2 Condensed cyclic compound and organic light-emitting device including the same SAMSUNG ELECTRONICS CO., LTD. (KR) 2018-05-01 US disclosed
US-20160093811-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG ELECTRONICS CO., LTD. (KR) 2016-03-31 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-20160093811-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME CRY1, CCNT1, CCNA1 SMN1; SMN2 3082/4885HIF1A 816/4885LMNA 1067/4885

“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.