SCHEMBL21188710

SCHEMBL21188710

Cc1cc(C#N)c(-c2ccccc2)c(C#N)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.50
TSHR P16473 1/20 0.45
ALDH1A1 P00352 8/20 0.45
KDM4E B2RXH2 6/20 0.45
HPGD P15428 5/20 0.45
GAA P10253 3/20 0.45
CYP1A2 P05177 3/20 0.45
CYP2C9 P11712 2/20 0.45
CYP2C19 P33261 2/20 0.45
NPSR1 Q6W5P4 2/20 0.45
GALR3 O60755 1/20 0.45
PLK4 O00444 1/20 0.43
CHEK1 O14757 1/20 0.43
AURKA O14965 1/20 0.43
CHUK O15111 1/20 0.43
ROCK2 O75116 1/20 0.43
CHEK2 O96017 1/20 0.43
INSR P06213 1/20 0.43
CDK1 P06493 1/20 0.43
CSF1R P07333 1/20 0.43

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
SCHEMBL18411450 0.81 TSHR (0.48) TSHRALDH1A1KDM4EHPGDGAA
SCHEMBL18411452 0.78 TSHR (0.46) TSHRALDH1A1KDM4EHPGDNPSR1
SCHEMBL21189088 0.77 TSHR (0.44) DHODHTSHRALDH1A1KDM4EHPGD
SCHEMBL344240 0.76 ALDH1A1 (0.50) ALDH1A1KDM4EHPGDGAACYP1A2
SCHEMBL15536125 0.76 HSD17B10 (0.46) TSHRALDH1A1KDM4EHPGDGAA
SCHEMBL2186551 0.75 TSHR (0.45) TSHRALDH1A1KDM4EHPGDGAA
SCHEMBL8521073 0.75 ALDH1A1 (0.39) DHODHTSHRALDH1A1KDM4EHPGD
SCHEMBL18406714 0.73 AR (0.54) TSHRALDH1A1KDM4EHPGDHSD17B10
SCHEMBL12679781 0.73 ALDH1A1 (0.47) ALDH1A1KDM4EHPGDGAACYP1A2
SCHEMBL31538090 0.73 ALDH1A1 (0.47) ALDH1A1KDM4EHPGDGAACYP1A2

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 2 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
CN-1059516-A The preparation method of biphenylcarbonitriles ICI LTD (GB) 1992-03-18 CN 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 DHODH 4154/4885TSHR 3246/4885ALDH1A1 1544/4885

“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.