SCHEMBL15972704

SCHEMBL15972704

Ic1ccnc(-c2cccnc2)n1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.62
ALDH1A1 P00352 6/20 0.53
HSD17B10 Q99714 4/20 0.53
LMNA P02545 3/20 0.53
ALOX15 P16050 3/20 0.53
KDM4E B2RXH2 1/20 0.53
TP53 P04637 1/20 0.53
MAPT P10636 1/20 0.53
HPGD P15428 1/20 0.53
HTT P42858 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
CYP1A2 P05177 10/20 0.53
CYP3A4 P08684 9/20 0.53
CYP2D6 P10635 7/20 0.53
MAPK1 P28482 3/20 0.53
TDP1 Q9NUW8 2/20 0.53
CLK4 Q9HAZ1 8/20 0.51
CYP2C19 P33261 5/20 0.51
USP2 O75604 2/20 0.50
TSHR P16473 1/20 0.50

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
SCHEMBL20402772 0.81 ALDH1A1 (0.57) CYP2A6ALDH1A1HSD17B10LMNAALOX15
SCHEMBL15827579 0.80 MAPT (0.43) LMNAKDM4EMAPTSMN1; SMN2MAPK1
SCHEMBL15966607 0.78 CYP2A6 (0.62) CYP2A6ALDH1A1HSD17B10LMNAALOX15
SCHEMBL10817963 0.78 CYP2A6 (0.62) CYP2A6ALDH1A1HSD17B10LMNAALOX15
SCHEMBL16320822 0.78 CYP2A6 (0.62) CYP2A6ALDH1A1HSD17B10LMNAALOX15
SCHEMBL27877200 0.78 CYP2A6 (0.62) CYP2A6ALDH1A1HSD17B10LMNAALOX15
SCHEMBL4631413 0.78 CYP2A6 (0.62) CYP2A6ALDH1A1HSD17B10LMNAALOX15
SCHEMBL18905348 0.78 CYP2A6 (0.62) CYP2A6ALDH1A1HSD17B10LMNAALOX15
SCHEMBL29933915 0.78 CYP2A6 (0.62) CYP2A6ALDH1A1HSD17B10LMNAALOX15
SCHEMBL2100709 0.78 CYP2A6 (1.00) CYP2A6ALDH1A1HSD17B10LMNAALOX15

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-20190157567-A1 NOVEL COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME DOOSAN CORPORATION (KR) 2019-05-23 US disclosed
US-9761813-B2 Organic light-emitting compound and organic electroluminescent device using same DOOSAN CORPORATION (KR) 2017-09-12 US disclosed
WO-2014128213-A1 COMPOUNDS FOR USE IN INHIBITING HIV CAPSID ASSEMBLY Ruprecht-Karls-Universität Heidelberg (DE) 2014-08-28 WO 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-20190157567-A1 NOVEL COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME SLC18A3, L1CAM, TMEM109 CYP2A6 3491/4885ALDH1A1 1057/4885HSD17B10 1652/4885

“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.