SCHEMBL831159

SCHEMBL831159

CC(C)c1cc2ccccc2nc1Cl

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 4/20 0.53
TOP2A P11388 3/20 0.53
TOP2B Q02880 3/20 0.53
KMT2A Q03164 1/20 0.50
ALDH1A1 P00352 6/20 0.46
MAPT P10636 3/20 0.46
HPGD P15428 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
GLA P06280 2/20 0.46
ACHE P22303 1/20 0.46
KDM4E B2RXH2 7/20 0.44
TLR8 Q9NR97 3/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
GAA P10253 1/20 0.40
STAT3 P40763 1/20 0.40
PIK3CD O00329 1/20 0.39
ABL1 P00519 1/20 0.39
HCK P08631 1/20 0.39
SRC P12931 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
SCHEMBL27781219 0.87 EGFR (0.51) EGFRTOP2ATOP2BKMT2AALDH1A1
SCHEMBL22198990 0.85 EGFR (0.50) EGFRTOP2ATOP2BKMT2AALDH1A1
SCHEMBL682003 0.85 EGFR (0.50) EGFRTOP2ATOP2BKMT2AALDH1A1
SCHEMBL681857 0.85 EGFR (0.57) EGFRTOP2ATOP2BKMT2AALDH1A1
SCHEMBL2178320 0.81 EGFR (0.53) EGFRTOP2ATOP2BKMT2AALDH1A1
SCHEMBL372693 0.80 EGFR (0.49) EGFRTOP2ATOP2BKMT2AALDH1A1
SCHEMBL12435442 0.80 KMT2A (0.50) EGFRTOP2ATOP2BKMT2AALDH1A1
SCHEMBL21550247 0.79 PDE3B (0.39) EGFRTOP2ATOP2BKMT2AALDH1A1
SCHEMBL12388168 0.78 ALDH1A1 (0.55) KMT2AALDH1A1MAPTHPGDTDP1
SCHEMBL12410896 0.78 ALDH1A1 (0.48) ALDH1A1MAPTHPGDTDP1GLA

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200397774-A1 PIPERIDIN-4-YL AZETIDINE DERIVATIVES AS JAK1 INHIBITORS INCYTE HOLDINGS CORPORATION 2020-12-24 US disclosed
US-20170246157-A1 PIPERIDIN-4-YL AZETIDINE DERIVATIVES AS JAK1 INHIBITORS INCYTE CORPORATION 2017-08-31 US disclosed
US-9464088-B2 Piperidin-4-yl azetidine derivatives as JAK1 inhibitors INCYTE HOLDINGS CORPORATION (US) 2016-10-11 US disclosed
CN-105848483-A Quinolinyl modulators of roryt 詹森药业有限公司 2016-08-10 CN disclosed
US-8901139-B2 Tricyclic indole derivatives and methods of use thereof MERCK SHARP & DOHME CORP. (US) 2014-12-02 US disclosed
US-20140275031-A1 PIPERIDIN-4-YL AZETIDINE DERIVATIVES AS JAK1 INHIBITORS INCYTE CORPORATION (US) 2014-09-18 US disclosed
US-8765757-B2 3-heterocyclic substituted indole derivatives and methods of use thereof MERCK SHARP & DOHME CORP. (US) 2014-07-01 US disclosed
US-8765734-B2 Piperidin-4-yl azetidine derivatives as JAK1 inhibitors INCYTE CORPORATION (US) 2014-07-01 US disclosed
US-8557848-B2 4,5-ring annulated indole derivatives for treating or preventing of HCV and related viral infections MERCK SHARP & DOHME CORP. (US) 2013-10-15 US disclosed
US-8143305-B2 2,3-substituted indole derivatives for treating viral infections SCHERING CORPORATION (US) 2012-03-27 US disclosed
US-20110033417-A1 2,3-SUBSTITUTED INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS MERCK SHARP & DOHME CORP. 2011-02-10 US disclosed
US-20100098661-A1 4,5-RING ANNULATED INDOLE DERIVATIVES FOR TREATING OR PREVENTING OF HCV AND RELATED VIRAL INFECTIONS SCHERING CORPORATION 2010-04-22 US disclosed
WO-2009152200-A1 TRICYCLIC INDOLE DERIVATIVES AND METHODS OF USE THEREOF SCHERING CORPORATION (US) 2009-12-17 WO disclosed
WO-2009032123-A2 TETRACYCLIC INDOLE DERIVATIVES AND THEIR USE FOR TREATING OR PREVENTING VIRAL INFECTIONS SCHERING CORPORATION (US) 2009-03-12 WO disclosed
EP-0091198-B1 QUINOLINE DERIVATIVES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1987-05-13 EP disclosed
US-4607040-A Quinoline derivatives which are 5-hydroxytryptamine antagonists IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1986-08-19 US disclosed
EP-0066993-B1 QUINOLINE DERIVATIVES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1985-01-30 EP disclosed
US-4435405-A 2-(AMINOALKYLTHIO) SUBSTITUTED IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1984-03-06 US disclosed
EP-0091198-A2 Quinoline derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1983-10-12 EP disclosed
EP-0066993-A1 Quinoline derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1982-12-15 EP 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 (5 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-20110033417-A1 2,3-SUBSTITUTED INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS IDO2, IDO1, IRF3 EGFR 2031/4885TOP2A 545/4885TOP2B 1128/4885
US-20200397774-A1 PIPERIDIN-4-YL AZETIDINE DERIVATIVES AS JAK1 INHIBITORS JAK1, JAK2, JAK3 EGFR 995/4885TOP2A 2722/4885TOP2B 3540/4885
US-20100098661-A1 4,5-RING ANNULATED INDOLE DERIVATIVES FOR TREATING OR PREVENTING OF HCV AND RELATED VIRAL INFECTIONS ZC3HAV1, IDO1, ZC3HAV1L EGFR 2897/4885TOP2A 1841/4885TOP2B 1308/4885
US-20140275031-A1 PIPERIDIN-4-YL AZETIDINE DERIVATIVES AS JAK1 INHIBITORS JAK1, JAK2, JAK3 EGFR 995/4885TOP2A 2722/4885TOP2B 3540/4885
US-20170246157-A1 PIPERIDIN-4-YL AZETIDINE DERIVATIVES AS JAK1 INHIBITORS JAK1, JAK2, JAK3 EGFR 995/4885TOP2A 2722/4885TOP2B 3540/4885

“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.