SCHEMBL4450143

SCHEMBL4450143

Cc1cccc(C#N)c1-c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.59
KDM4E B2RXH2 7/20 0.44
HSD17B10 Q99714 3/20 0.44
ADORA2A P29274 2/20 0.44
HTT P42858 2/20 0.44
ADRA2A P08913 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.42
HIF1A Q16665 1/20 0.42
GRM6 O15303 1/20 0.42
PLK4 O00444 1/20 0.42
CHEK1 O14757 1/20 0.42
AURKA O14965 1/20 0.42
CHUK O15111 1/20 0.42
ROCK2 O75116 1/20 0.42
CHEK2 O96017 1/20 0.42
INSR P06213 1/20 0.42
CDK1 P06493 1/20 0.42
CSF1R P07333 1/20 0.42
PIM1 P11309 1/20 0.42
FGFR1 P11362 1/20 0.42

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
SCHEMBL21022697 0.85 TSHR (0.65) TSHRKDM4EALDH1A1ALOX15CYP1A2
SCHEMBL18411452 0.85 TSHR (0.46) TSHRKDM4EHSD17B10ADORA2AHTT
SCHEMBL24196864 0.83 TSHR (0.48) TSHRKDM4EALDH1A1ALOX15HPGD
SCHEMBL21022696 0.83 TSHR (0.62) TSHRKDM4EALDH1A1ALOX15CYP1A2
SCHEMBL21189090 0.82 TSHR (0.47) TSHRADORA2A
SCHEMBL27510138 0.80 CYP1A2 (0.47) TSHRKDM4EHSD17B10ADORA2AHTT
SCHEMBL2186547 0.80 TSHR (0.59) TSHRKDM4EMEN1KMT2A
SCHEMBL24196851 0.79 TSHR (0.44) TSHRKDM4ESMN1; SMN2ALDH1A1ALOX15
SCHEMBL2146565 0.79 KDM4E (0.52) TSHRKDM4EHSD17B10ADORA2AHTT
SCHEMBL30269804 0.78 CA2 (0.53) TSHRCHUK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190229276-A1 CONDENSED CYCLIC COMPOUND, COMPOSITION INCLUDING THE CONDENSED CYCLIC COMPOUND, AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING CONDENSED CYCLIC COMPOUND SAMSUNG ELECTRONICS CO., LTD. (KR) 2019-07-25 US disclosed
US-20140183468-A1 PYRENE-BASED COMPOUND AND ORGANIC LIGHT-EMITTING DIODE COMPRISING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2014-07-03 US disclosed
US-7507830-B2 Process for preparing unsymmetrical biaryls and alkylated aromatic compounds from arylnitriles PHARMACORE, INC. (US) 2009-03-24 US disclosed
US-6962999-B2 Process for preparing unsymmetrical biaryls and alkylated aromatic compounds from arylnitriles PHARMACORE, INC. (US) 2005-11-08 US disclosed
US-20050124808-A1 Process for preparing unsymmetrical biaryls and alkylated aromatic compounds from arylnitriles DSM I.P. ASSETS B.V. (NL) 2005-06-09 US disclosed
US-20030100760-A1 Process for preparing unsymmetrical biaryls and alkylated aromatic compounds from arylnitriles DSM N.V. (NL) 2003-05-29 US disclosed
EP-1279656-A2 Process for preparing unsymmetrical biaryls and alkylated aromatic compounds from arylnitriles DSM N.V. (NL) 2003-01-29 EP disclosed
US-6194599-B1 Process for preparing biaryl compounds CATALYTICA, INC. 2001-02-27 US disclosed
US-5922898-A Process for preparing biaryl compounds CATALYTICA PHARMACEUTICALS, INC. (US) 1999-07-13 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 (3 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-20190229276-A1 CONDENSED CYCLIC COMPOUND, COMPOSITION INCLUDING THE CONDENSED CYCLIC COMPOUND, AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING CONDENSED CYCLIC COMPOUND CRY1, CCNT1, CCND2 TSHR 3246/4885KDM4E 3333/4885HSD17B10 2289/4885
US-20030100760-A1 Process for preparing unsymmetrical biaryls and alkylated aromatic compounds from arylnitriles AHR, PAH, DDT TSHR 2211/4885KDM4E 878/4885HSD17B10 2807/4885
US-20050124808-A1 Process for preparing unsymmetrical biaryls and alkylated aromatic compounds from arylnitriles AHR, PAH, DDT TSHR 2211/4885KDM4E 878/4885HSD17B10 2807/4885

“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.