SCHEMBL998813

SCHEMBL998813

Brc1ccc(-c2cccnc2)cn1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 7/20 0.65
ALDH1A1 P00352 2/20 0.65
CYP3A4 P08684 2/20 0.65
CYP1A2 P05177 1/20 0.65
CYP19A1 P11511 3/20 0.61
CYP11B2 P19099 3/20 0.55
CYP11B1 P15538 2/20 0.55
MKNK1 Q9BUB5 2/20 0.50
MKNK2 Q9HBH9 2/20 0.50
KIF11 P52732 1/20 0.50
KDM4E B2RXH2 1/20 0.50
LMNA P02545 1/20 0.50
TP53 P04637 1/20 0.50
MAPT P10636 1/20 0.50
HPGD P15428 1/20 0.50
ALOX15 P16050 1/20 0.50
HTT P42858 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
HSD17B10 Q99714 1/20 0.50
CYP17A1 P05093 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
SCHEMBL16675076 0.91 CYP11B1 (0.56) CYP2A6ALDH1A1CYP3A4CYP1A2CYP19A1
SCHEMBL24534338 0.81 CYP2A6 (0.88) CYP2A6ALDH1A1CYP3A4CYP1A2CYP19A1
SCHEMBL13907273 0.81 CYP2A6 (0.88) CYP2A6ALDH1A1CYP3A4CYP1A2CYP19A1
SCHEMBL29360677 0.81 CYP2A6 (0.88) CYP2A6ALDH1A1CYP3A4CYP1A2CYP19A1
SCHEMBL29419014 0.81 CYP2A6 (1.00) CYP2A6ALDH1A1CYP3A4CYP1A2CYP19A1
SCHEMBL787481 0.81 CYP19A1 (0.44) CYP2A6ALDH1A1CYP19A1CYP11B1KDM4E
SCHEMBL29740319 0.81 CYP19A1 (0.44) CYP2A6ALDH1A1CYP19A1CYP11B1KDM4E
SCHEMBL30473120 0.81 CYP2A6 (1.00) CYP2A6ALDH1A1CYP3A4CYP1A2CYP19A1
SCHEMBL120088 0.81 CYP2A6 (1.00) CYP2A6ALDH1A1CYP3A4CYP1A2CYP19A1
SCHEMBL24871111 0.80 CYP2A6 (0.68) CYP2A6ALDH1A1CYP3A4CYP1A2CYP19A1

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110128424-A Compound, display panel and display device 上海天马有机发光显示技术有限公司 2019-08-16 CN disclosed
US-9543527-B2 Red phosphorescent compound and organic light emitting diode device using the same LG DISPLAY CO., LTD. (KR) 2017-01-10 US disclosed
US-9543527-B2 Red phosphorescent compound and organic light emitting diode device using the same LG DISPLAY CO., LTD. (KR) 2017-01-10 US disclosed
US-9416107-B2 Heterocyclic compound and organic light-emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2016-08-16 US disclosed
US-9416107-B2 Heterocyclic compound and organic light-emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2016-08-16 US disclosed
US-20140175402-A1 RED PHOSPHORESCENT COMPOUND AND ORGANIC LIGHT EMITTING DIODE DEVICE USING THE SAME LG DISPLAY CO., LTD. (KR) 2014-06-26 US disclosed
US-20140175402-A1 RED PHOSPHORESCENT COMPOUND AND ORGANIC LIGHT EMITTING DIODE DEVICE USING THE SAME LG DISPLAY CO., LTD. (KR) 2014-06-26 US disclosed
US-20130001522-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG MOBILE DISPLAY CO., LTD. (KR) 2013-01-03 US disclosed
US-20130001522-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG MOBILE DISPLAY CO., LTD. (KR) 2013-01-03 US disclosed
US-7867980-B2 Lincosamide derivatives and antimicrobial agents comprising the same as active ingredient MEIJI SEIKA KAISHA, LTD. (JP) 2011-01-11 US disclosed
US-20100184746-A1 LINCOSAMIDE DERIVATIVES AND ANTIMICROBIAL AGENTS COMPRISING THE SAME AS ACTIVE INGREDIENT MEIJI SEIKA KAISHA LTD 2010-07-22 US disclosed
EP-2166015-A1 LINCOSAMIDE DERIVATIVE, AND ANTIBACTERIAL AGENT COMPRISING THE SAME AS ACTIVE INGREDIENT Meiji Seika Kaisha Ltd. (JP) 2010-03-24 EP 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-20130001522-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME CRY1, CYP1A1, CYP1B1 CYP2A6 158/4885ALDH1A1 10/4885CYP3A4 12/4885
US-20100184746-A1 LINCOSAMIDE DERIVATIVES AND ANTIMICROBIAL AGENTS COMPRISING THE SAME AS ACTIVE INGREDIENT SIRT6, LAS1L, MRPS18A CYP2A6 548/4885ALDH1A1 3217/4885CYP3A4 2743/4885

“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.