SCHEMBL18170959

SCHEMBL18170959

Cn1cc(Nc2ccc(NC(=O)c3ccc(F)cc3)c3c2CNC3=O)cn1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 3/20 0.50
BTK Q06187 8/20 0.43
EGFR P00533 7/20 0.43
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
MAOA P21397 1/20 0.41
KDR P35968 2/20 0.40
KDM4E B2RXH2 1/20 0.39
RPS6KA2 Q15349 2/20 0.39
RPS6KA3 P51812 1/20 0.39
MKNK1 Q9BUB5 1/20 0.39
CASP3 P42574 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
SCHEMBL18170461 0.82 MEN1 (0.52) TYK2ALDH1A1KDRCASP3
SCHEMBL18170590 0.82 CYP11B1 (0.57) KDRCASP3
SCHEMBL18170549 0.80 KDR (0.53) TYK2KDRCASP3
SCHEMBL18170713 0.78 TRPA1 (0.44) KDRCASP3
SCHEMBL18170600 0.78 KMT2A (0.44) ALDH1A1KDRKDM4ECASP3
SCHEMBL18170467 0.78 MEN1 (0.48) ALDH1A1HPGDKDRKDM4ECASP3
SCHEMBL18170762 0.77 KDR (0.47) EGFRKDRCASP3
SCHEMBL18170636 0.77 NPC1 (0.46) ALDH1A1KDRCASP3
SCHEMBL18170896 0.77 CASP3 (0.41) EGFRALDH1A1HPGDKDRKDM4E
SCHEMBL18170783 0.76 KCNMA1 (0.51) KDRCASP3

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-9856216-B2 Compounds as TNIK, IKKε and TBK1 inhibitors and pharmaceutical composition comprising same GREEN CROSS CORPORATION (KR) 2018-01-02 US claimed
US-20160311772-A1 COMPOUNDS AS TNIK, IKKEPSILON AND TBK1 INHIBITORS AND PHARMACEUTICAL COMPOSITION COMPRISING SAME GREEN CROSS CORPORATION (KR) 2016-10-27 US claimed
US-9856216-B2 Compounds as TNIK, IKKε and TBK1 inhibitors and pharmaceutical composition comprising same GREEN CROSS CORPORATION (KR) 2018-01-02 US disclosed
US-20160311772-A1 COMPOUNDS AS TNIK, IKKEPSILON AND TBK1 INHIBITORS AND PHARMACEUTICAL COMPOSITION COMPRISING SAME GREEN CROSS CORPORATION (KR) 2016-10-27 US disclosed
US-20160311772-A1 COMPOUNDS AS TNIK, IKKEPSILON AND TBK1 INHIBITORS AND PHARMACEUTICAL COMPOSITION COMPRISING SAME GREEN CROSS CORPORATION (KR) 2016-10-27 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-20160311772-A1 COMPOUNDS AS TNIK, IKKEPSILON AND TBK1 INHIBITORS AND PHARMACEUTICAL COMPOSITION COMPRISING SAME TNIK, TNK1, NFKBIA TYK2 25/4885BTK 526/4885EGFR 993/4885

“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.