SCHEMBL17883188

SCHEMBL17883188

N#Cc1ccc(N2c3ccccc3N(c3ccc(C#N)cc3)c3ccccc32)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.50
ELANE P08246 1/20 0.46
POLB P06746 1/20 0.46
PGR P06401 6/20 0.45
MAOB P27338 2/20 0.43
MAOA P21397 1/20 0.43
KDM4E B2RXH2 1/20 0.42
TP53 P04637 1/20 0.42
NR1H3 Q13133 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP2A6 P11509 1/20 0.41
CA12 O43570 1/20 0.41
CA2 P00918 1/20 0.41
CA3 P07451 1/20 0.41
CA6 P23280 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
TLR9 Q9NR96 1/20 0.39
IDO1 P14902 1/20 0.38
TDO2 P48775 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
SCHEMBL31324965 1.00 TSHR (0.50) TSHRELANEPOLBPGRMAOB
SCHEMBL20284477 0.96 TSHR (0.52) TSHRELANEPOLBPGRMAOB
SCHEMBL19344946 0.85 POLB (0.42) TSHRELANEPOLBPGRKDM4E
SCHEMBL19344969 0.85 ELANE (0.42) TSHRELANEPOLBPGR
SCHEMBL6024614 0.85 HPGD (0.47) TSHRELANEPOLBPGRMAOB
SCHEMBL19344967 0.85 HDAC6 (0.50) TSHRELANEPOLBPGRMAOA
SCHEMBL29617995 0.85 HDAC6 (0.50) TSHRELANEPOLBPGRMAOA
SCHEMBL15178582 0.83 ELANE (0.43) TSHRELANEPOLBPGRKDM4E
SCHEMBL19344971 0.82 ELANE (0.41) TSHRELANEPOLBPGRMAOB
SCHEMBL19344945 0.82 TSHR (0.42) TSHRELANEPOLBPGRMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11820761-B2 Organic compound, organic light emitting diode and organic light emitting device including the organic compound LG DISPLAY CO., LTD. (KR) 2023-11-21 US disclosed
EP-3790068-B1 ORGANIC COMPOUND, ORGANIC LIGHT EMITTING DIODE AND ORGANIC LIGHT EMITTING DEVICE INCLUDING THE ORGANIC COMPOUND LG DISPLAY CO LTD (KR) 2023-07-05 EP disclosed
US-11345771-B2 Compositions and methods of promoting organic photocatalysis THE REGENTS OF THE UNIVERSITY OF COLORADO (US) 2022-05-31 US disclosed
US-11345771-B2 Compositions and methods of promoting organic photocatalysis THE REGENTS OF THE UNIVERSITY OF COLORADO (US) 2022-05-31 US disclosed
US-10975171-B2 Compositions and methods of promoting organic photocatalysis THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE (US) 2021-04-13 US disclosed
US-10975171-B2 Compositions and methods of promoting organic photocatalysis THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE (US) 2021-04-13 US disclosed
US-20210074927-A1 ORGANIC ELECTROLUMINESCENT DEVICE KYULUX, INC. (JP) 2021-03-11 US disclosed
EP-3790068-A1 ORGANIC COMPOUND, ORGANIC LIGHT EMITTING DIODE AND ORGANIC LIGHT EMITTING DEVICE INCLUDING THE ORGANIC COMPOUND LG Display Co., Ltd. (KR) 2021-03-10 EP disclosed
US-10862047-B2 Organic electroluminescent device KYUSHU UNIVERSITY, NATIONAL UNIVERSITY CORPORATION (JP) 2020-12-08 US disclosed
EP-3706182-A1 ORGANIC ELECTROLUMINESCENT DEVICE Kyushu University National University Corporation (JP) 2020-09-09 EP disclosed
US-10658596-B2 2020-05-19 US disclosed
US-20180237550-A1 COMPOSITIONS AND METHODS OF PROMOTING ORGANIC PHOTOCATALYSIS CHARGEPOINT INC. 2018-08-23 US disclosed
WO-2017070560-A1 COMPOSITIONS AND METHODS OF PROMOTING ORGANIC PHOTOCATALYSIS THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE (US) 2017-04-27 WO disclosed
US-20160190478-A1 ORGANIC ELECTROLUMINESCENT DEVICE KYUSHU UNIVERSITY, NATIONAL UNIVERSITY CORPORATION (JP) 2016-06-30 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 (4 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-11345771-B2 Compositions and methods of promoting organic photocatalysis TYR, ALKBH2, CYBB TSHR 4863/4885ELANE 2119/4885POLB 129/4885
US-11820761-B2 Organic compound, organic light emitting diode and organic light emitting device including the organic compound OCIAD1, OCIAD2, ORC3 TSHR 4561/4885ELANE 3502/4885POLB 1090/4885
US-20180237550-A1 COMPOSITIONS AND METHODS OF PROMOTING ORGANIC PHOTOCATALYSIS TYR, ALKBH2, CYBB TSHR 4863/4885ELANE 2119/4885POLB 129/4885
US-10975171-B2 Compositions and methods of promoting organic photocatalysis TYR, ALKBH2, CYBB TSHR 4863/4885ELANE 2119/4885POLB 129/4885

“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.