SCHEMBL21189098

SCHEMBL21189098

Cc1cccc(-c2ccccc2C#N)c1C#N

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.57
LMNA P02545 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP2C19 P33261 1/20 0.44
ESR2 Q92731 1/20 0.43
AR P10275 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.38
HIF1A Q16665 1/20 0.38
LRRK2 Q5S007 1/20 0.38
NISCH Q9Y2I1 1/20 0.37
KDM4E B2RXH2 2/20 0.36
GAA P10253 2/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 2/20 0.36
GALR3 O60755 1/20 0.36
GABRA1 P14867 3/20 0.35
GABRG2 P18507 3/20 0.35
GABRB3 P28472 3/20 0.35
GABRA2 P47869 3/20 0.35
GABRA5 P31644 1/20 0.35

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
SCHEMBL12679722 0.86 ESR2 (0.50) TSHRLMNAESR2SMN1; SMN2HIF1A
SCHEMBL18406710 0.85 TSHR (0.57) TSHRLMNACYP1A2CYP2C19ESR2
SCHEMBL22430830 0.84 TSHR (0.47) TSHRLMNACYP1A2CYP2C19ESR2
SCHEMBL11876478 0.84 ESR2 (0.48) TSHRLMNAESR2SMN1; SMN2HIF1A
SCHEMBL1472952 0.84 TSHR (0.67) TSHRLMNAESR2ARSMN1; SMN2
SCHEMBL30485186 0.81 TSHR (0.62) TSHRLMNACYP1A2CYP2C19AR
SCHEMBL1003690 0.81 TSHR (0.62) TSHRLMNACYP1A2CYP2C19AR
SCHEMBL9313227 0.81 TSHR (0.57) TSHRLMNACYP1A2ESR2AR
SCHEMBL23200373 0.80 CYP1A2 (0.47) TSHRLMNACYP1A2CYP2C19AR
SCHEMBL1132593 0.80 TSHR (0.61) TSHRLMNAESR2ARLRRK2

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 1 patent. 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 3246/4885LMNA 1870/4885CYP1A2 1677/4885

“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.