Sugi Predict

Sugi Predict / Compounds / SCHEMBL17437293

SCHEMBL17437293

SCHEMBL17437293

CSc1ccc2cncc(Cl)c2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GFER P55789 1/20 0.41
▸ SLC22A12 Q96S37 3/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ GAA P10253 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ TYMS P04818 1/20 0.36
▸ CDK1 P06493 2/20 0.35
▸ GSK3B P49841 2/20 0.35
▸ DAPK3 O43293 1/20 0.35
▸ DYRK3 O43781 1/20 0.35
▸ MAP4K4 O95819 1/20 0.35
▸ PIM1 P11309 1/20 0.35
▸ CDK2 P24941 1/20 0.35
▸ CSNK1A1 P48729 1/20 0.35
▸ CLK2 P49760 1/20 0.35
▸ GSK3A P49840 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
SCHEMBL21897690 0.76 AKR1C3 (0.37) SLC22A12ALDH1A1KDM4EGAAMAPT
SCHEMBL15047853 0.76 LMNA (0.47) ALDH1A1KDM4EMAPTKMT2ALMNA
SCHEMBL17437066 0.73 EGFR (0.46) ALDH1A1KDM4EGAAMAPTTSHR
SCHEMBL1705040 0.72 ACHE (0.41) ALDH1A1KDM4EMAPTCLK2CLK4
SCHEMBL2231162 0.72 NT5E (0.42) ALDH1A1KDM4EGAAMAPTMEN1
SCHEMBL9880940 0.71 KIF11 (0.39) SLC22A12ALDH1A1MAPTHPGDHSD17B10
SCHEMBL28062485 0.71 CYP11B1 (0.57) GFERALDH1A1KDM4EMAPTTSHR
SCHEMBL9883268 0.71 CYP1A2 (0.41) ALDH1A1KDM4EMAPTHPGDTSHR
SCHEMBL23731938 0.69 PRKCZ (0.47) ALDH1A1KDM4EGAAMAPTCDK1
SCHEMBL18525809 0.69 AR (0.44) CDK1GSK3BDAPK3PIM1CDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106817900-A Novel naphthyridines and isoquinolin and its purposes as CDK8/19 inhibitor 默克专利有限公司 2017-06-09 — — CN disclosed
EP-3169678-A1 NOVEL NAPHTHRYIDINES AND ISOQUINOLINES AND THEIR USE AS CDK8/19 INHIBITORS Merck Patent GmbH (DE) 2017-05-24 — — EP disclosed
US-20160016951-A1 NOVEL NAPHTHYRIDINES AND ISOQUINOLINES AND THEIR USE AS CDK8/19 INHIBITORS MERCK PATENT GMBH (DE) 2016-01-21 — — US disclosed
US-20160016951-A1 NOVEL NAPHTHYRIDINES AND ISOQUINOLINES AND THEIR USE AS CDK8/19 INHIBITORS MERCK PATENT GMBH (DE) 2016-01-21 — — US disclosed
US-20160016951-A1 NOVEL NAPHTHYRIDINES AND ISOQUINOLINES AND THEIR USE AS CDK8/19 INHIBITORS MERCK PATENT GMBH (DE) 2016-01-21 — — US disclosed
WO-2016009076-A1 NOVEL NAPHTHRYIDINES AND ISOQUINOLINES AND THEIR USE AS CDK8/19 INHIBITORS MERCK PATENT GMBH (DE) 2016-01-21 — — WO disclosed
WO-2016009076-A1 NOVEL NAPHTHRYIDINES AND ISOQUINOLINES AND THEIR USE AS CDK8/19 INHIBITORS MERCK PATENT GMBH (DE) 2016-01-21 — — WO 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-20160016951-A1 NOVEL NAPHTHYRIDINES AND ISOQUINOLINES AND THEIR USE AS CDK8/19 INHIBITORS CDK8, CDK9, CDK18 GFER 4851/4885SLC22A12 4295/4885ALDH1A1 3612/4885

“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.