SCHEMBL17570552

SCHEMBL17570552

Cc1ccc(C#N)c(C#N)c1C#N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.46
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 1/20 0.39
ALDH1A1 P00352 6/20 0.38
KDM4E B2RXH2 4/20 0.38
MAPT P10636 3/20 0.38
ALOX15 P16050 3/20 0.38
HSD17B10 Q99714 3/20 0.38
HPGD P15428 1/20 0.38
APOBEC3G Q9HC16 1/20 0.38
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
AR P10275 5/20 0.35
PGR P06401 1/20 0.35
CASP1 P29466 2/20 0.34
CASP7 P55210 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
USP2 O75604 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
SMN1; SMN2 Q16637 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
SCHEMBL10766410 0.88 TSHR (0.44) TSHRCYP1A2CYP2C19ALDH1A1KDM4E
SCHEMBL31050110 0.87 CYP1A2 (0.46) TSHRCYP1A2CYP2C19ALDH1A1KDM4E
SCHEMBL7975208 0.87 CYP1A2 (0.46) TSHRCYP1A2CYP2C19ALDH1A1KDM4E
Hexamethylbenzene SCHEMBL4271177 0.84 TSHR (0.44) TSHRALDH1A1KDM4EHPGDMEN1
SCHEMBL31399295 0.84 TSHR (0.39) TSHRALDH1A1KDM4EMAPTHPGD
SCHEMBL152358 0.84 TSHR (0.39) TSHRALDH1A1KDM4EMAPTHPGD
SCHEMBL4743281 0.83 TSHR (0.44) TSHRCYP1A2CYP2C19ALDH1A1KDM4E
SCHEMBL29913598 0.83 TSHR (0.44) TSHRCYP1A2CYP2C19ALDH1A1KDM4E
SCHEMBL29398131 0.83 TSHR (0.44) TSHRCYP1A2CYP2C19ALDH1A1KDM4E
SCHEMBL8852021 0.83 TSHR (0.44) TSHRCYP1A2CYP2C19ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3375785-B1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2020-08-05 EP disclosed
US-10367151-B2 Condensed cyclic compound and organic light-emitting device including the same SAMSUNG ELECTRONICS CO., LTD. (KR) 2019-07-30 US disclosed
US-10193079-B2 Materials for electronic devices MERCK PATENT GMBH (DE) 2019-01-29 US disclosed
EP-2976329-B1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2018-06-27 EP disclosed
US-20160380210-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG ELECTRONICS CO., LTD. (KR) 2016-12-29 US disclosed
US-20160072076-A1 MATERIALS FOR ELECTRONIC DEVICES UDC IRELAND LIMITED (IE) 2016-03-10 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-20160072076-A1 MATERIALS FOR ELECTRONIC DEVICES AOC3, AOC2, AOC1 TSHR 3000/4885CYP1A2 238/4885CYP2C19 48/4885
US-20160380210-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME CRY1, CRY2, CCNT1 TSHR 4226/4885CYP1A2 683/4885CYP2C19 340/4885
US-10367151-B2 Condensed cyclic compound and organic light-emitting device including the same CRY1, CRY2, CCNE2 TSHR 4106/4885CYP1A2 740/4885CYP2C19 462/4885
US-10193079-B2 Materials for electronic devices AOC3, AOC2, AOC1 TSHR 3000/4885CYP1A2 238/4885CYP2C19 48/4885

“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.