SCHEMBL16273147

SCHEMBL16273147

Cc1cccc2c1sc1c(C#N)cccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.50
PDE10A Q9Y233 1/20 0.39
CYP2A6 P11509 2/20 0.38
CYP1A2 P05177 2/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
ALDH1A1 P00352 3/20 0.36
MAPT P10636 2/20 0.35
KDM4E B2RXH2 1/20 0.35
GAA P10253 1/20 0.35
IMPDH2 P12268 2/20 0.33
MEN1 O00255 1/20 0.33
USP2 O75604 1/20 0.33
POLB P06746 1/20 0.33
ALOX15 P16050 1/20 0.33
XBP1 P17861 1/20 0.33
KMT2A Q03164 1/20 0.33
HSD17B10 Q99714 1/20 0.33
IMPDH1 P20839 1/20 0.33
AR P10275 3/20 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
SCHEMBL16273146 0.84 TSHR (0.48) TSHRPDE10ACYP2A6CYP1A2CA1
SCHEMBL142551 0.82 CYP1A2 (0.55) TSHRCYP2A6CYP1A2CA1CA2
SCHEMBL29364650 0.82 CYP1A2 (0.55) TSHRCYP2A6CYP1A2CA1CA2
SCHEMBL18347527 0.81 TSHR (0.46) TSHRPDE10ACYP2A6CYP1A2CA1
SCHEMBL20172904 0.80 TSHR (0.42) TSHRPDE10ACA1CA2ALDH1A1
SCHEMBL20172879 0.80 TSHR (0.42) TSHRPDE10ACA1CA2ALDH1A1
Hydrogen Sulfide SCHEMBL28590036 0.80 CYP1A2 (0.52) TSHRCYP2A6CYP1A2CA1CA2
SCHEMBL20650368 0.79 TSHR (0.41) TSHRPDE10ACA1CA2ALDH1A1
SCHEMBL20650388 0.79 TSHR (0.41) TSHRPDE10ACA1CA2ALDH1A1
SCHEMBL21896626 0.78 CYP3A4 (0.41) TSHRPDE10ACYP1A2CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20190152919-A1 COMPOUND AND ORGANIC ELECTRONIC ELEMENT COMPRISING SAME LG CHEM, LTD. (KR) 2019-05-23 US 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-20140353646-A1 AROMATIC AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE ELEMENT USING SAME IDEMITSU KOSAN CO., LTD. (JP) 2014-12-04 US disclosed
US-20140353646-A1 AROMATIC AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE ELEMENT USING SAME IDEMITSU KOSAN CO., LTD. (JP) 2014-12-04 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-20160380210-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME CRY1, CRY2, CCNT1 TSHR 4226/4885PDE10A 2439/4885CYP2A6 1661/4885
US-20190152919-A1 COMPOUND AND ORGANIC ELECTRONIC ELEMENT COMPRISING SAME OR10J3, ETV6, ESR1 TSHR 4256/4885PDE10A 3980/4885CYP2A6 433/4885
US-10367151-B2 Condensed cyclic compound and organic light-emitting device including the same CRY1, CRY2, CCNE2 TSHR 4106/4885PDE10A 2609/4885CYP2A6 1715/4885

“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.