SCHEMBL21189088

SCHEMBL21189088

Cc1cc(C#N)cc(C#N)c1-c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.44
ALDH1A1 P00352 7/20 0.42
ATM Q13315 1/20 0.42
KDM4E B2RXH2 4/20 0.41
GAA P10253 3/20 0.41
HPGD P15428 3/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
GALR3 O60755 1/20 0.41
EGLN2 Q96KS0 1/20 0.39
PLK4 O00444 1/20 0.39
CHEK1 O14757 1/20 0.39
AURKA O14965 1/20 0.39
CHUK O15111 1/20 0.39
ROCK2 O75116 1/20 0.39
CHEK2 O96017 1/20 0.39
INSR P06213 1/20 0.39
CDK1 P06493 1/20 0.39

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
SCHEMBL28155307 0.89 TSHR (0.46) TSHRALDH1A1ATMKDM4EGAA
SCHEMBL18411450 0.87 TSHR (0.48) TSHRALDH1A1KDM4EGAAHPGD
SCHEMBL21188710 0.77 DHODH (0.50) TSHRALDH1A1KDM4EGAAHPGD
SCHEMBL18411442 0.76 CYP11B1 (0.44) TSHRALDH1A1KDM4EGAAHPGD
SCHEMBL18406699 0.76 TSHR (0.50) TSHRLMNASMN1; SMN2AR
SCHEMBL18411466 0.76 CYP11B1 (0.44) TSHRALDH1A1KDM4EGAAHPGD
SCHEMBL18411367 0.76 METAP2 (0.43) TSHRALDH1A1KDM4EGAAHPGD
SCHEMBL4450143 0.76 TSHR (0.59) TSHRALDH1A1KDM4EGAAHPGD
SCHEMBL17051410 0.76 ALDH1A1 (0.52) ALDH1A1KDM4EGAAHPGDNPSR1
SCHEMBL17051409 0.75 AR (0.50) TSHRALDH1A1KDM4EHPGDL3MBTL1

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 3246/4885ALDH1A1 1544/4885ATM 607/4885

“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.