SCHEMBL1176829

SCHEMBL1176829

[CH2]c1ccnc2[nH]ccc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 4/20 0.59
AXL P30530 2/20 0.59
AURKB Q96GD4 3/20 0.52
IKBKB O14920 3/20 0.52
CHUK O15111 3/20 0.52
IGF1R P08069 2/20 0.52
DYRK1B Q9Y463 2/20 0.52
DAPK3 O43293 1/20 0.52
JAK2 O60674 1/20 0.52
PRKD3 O94806 1/20 0.52
MAP4K4 O95819 1/20 0.52
PAK4 O96013 1/20 0.52
CSF1R P07333 1/20 0.52
RET P07949 1/20 0.52
FGFR1 P11362 1/20 0.52
PRKACA P17612 1/20 0.52
FLT1 P17948 1/20 0.52
LTK P29376 1/20 0.52
GRK5 P34947 1/20 0.52
KDR P35968 1/20 0.52

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
SCHEMBL2240671 0.77 AURKB (0.71) PRKCIAXLAURKBIKBKBCHUK
SCHEMBL858771 0.74 PRKCI (0.59) PRKCIAXLAURKBIKBKBCHUK
SCHEMBL99690 0.74 PRKCI (1.00) PRKCIAXLAURKBIKBKBCHUK
SCHEMBL29431169 0.74 PRKCI (1.00) PRKCIAXLAURKBIKBKBCHUK
SCHEMBL306661 0.74 PRKCI (0.59) PRKCIAXLAURKBIKBKBCHUK
SCHEMBL3339974 0.74 PRKCI (0.59) PRKCIAXLAURKBIKBKBCHUK
SCHEMBL91443 0.74 PRKCI (0.59) PRKCIAXLAURKBIKBKBCHUK
SCHEMBL30991796 0.74 PRKCI (0.59) PRKCIAXLAURKBIKBKBCHUK
SCHEMBL21062776 0.74 PRKCI (0.59) PRKCIAXLAURKBIKBKBCHUK
SCHEMBL30084291 0.74 PRKCI (0.59) PRKCIAXLAURKBIKBKBCHUK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024104425-A1 KRAS INHIBITOR COMPOUND, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF 广东东阳光药业股份有限公司 2024-05-23 WO claimed
EP-2758051-B1 CYANOMETHYLPYRAZOLE CARBOXAMIDES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME (US) 2018-04-11 EP claimed
US-9328099-B2 Cyanomethylpyrazole carboxamides as janus kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2016-05-03 US claimed
US-20140228348-A1 CYANOMETHYLPYRAZOLE CARBOXAMIDES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME LLC 2014-08-14 US claimed
CN-103080109-A Deuterated Heterocyclic Compound Kinase Inhibitors ASCEPION PHARMACEUTICALS INC 2013-05-01 CN claimed
WO-2024104425-A1 KRAS INHIBITOR COMPOUND, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF 广东东阳光药业股份有限公司 2024-05-23 WO disclosed
EP-3122741-B1 8-(PIPERAZIN-1-YL)-1,2,3,4-TETRAHYDRO-ISOQUINOLINE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2018-06-06 EP disclosed
US-9951063-B2 8-(piperazin-1-yl)-1,2,3,4-tetrahydro-isoquinoline derivatives IDORSIA PHARMACEUTICALS LTD (CH) 2018-04-24 US disclosed
EP-2758051-B1 CYANOMETHYLPYRAZOLE CARBOXAMIDES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME (US) 2018-04-11 EP disclosed
US-20170107214-A1 8-(PIPERAZIN-1-YL)-1,2,3,4-TETRAHYDRO-ISOQUINOLINE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2017-04-20 US disclosed
EP-3122741-A1 8-(PIPERAZIN-1-YL)-1,2,3,4-TETRAHYDRO-ISOQUINOLINE DERIVATIVES Actelion Pharmaceuticals Ltd (CH) 2017-02-01 EP disclosed
US-9328099-B2 Cyanomethylpyrazole carboxamides as janus kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2016-05-03 US disclosed
US-7888344-B2 Fused thiazole derivatives as kinase inhibitors UCB PHARMA S.A. (BE) 2011-02-15 US disclosed
US-20100305066-A1 Fused Thiophene Derivatives as Kinase Inhibitors UCB PHARMA S.A. (BE) 2010-12-02 US disclosed
US-20100298310-A1 Thiazole Derivatives as Kinase Inhibitors UCB PHARMA S.A. (BE) 2010-11-25 US disclosed
US-20100137302-A1 Fused Thiazole Derivatives as Kinase Inhibitors UCB PHARMA S.A. (BE) 2010-06-03 US disclosed
WO-2009122148-A1 FUSED THIOPHENE AND THIAZOLE DERIVATIVES AS PI3K KINASE INHIBITORS UCB PHARMA S.A. (BE) 2009-10-08 WO disclosed
EP-2035436-A1 FUSED THIAZOLE DERIVATIVES AS KINASE INHIBITORS UCB Pharma S.A. (BE) 2009-03-18 EP disclosed
US-20080306060-A1 Fused Thiazole Derivatives as Kinase Inhibitors UCB PHARMA S.A. (BE) 2008-12-11 US disclosed
WO-2008001076-A1 FUSED THIAZOLE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA S.A. (BE) 2008-01-03 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 (6 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-20170107214-A1 8-(PIPERAZIN-1-YL)-1,2,3,4-TETRAHYDRO-ISOQUINOLINE DERIVATIVES CXCR3, CXCR1, CXCR2 PRKCI 2034/4885AXL 1074/4885AURKB 1938/4885
US-20140228348-A1 CYANOMETHYLPYRAZOLE CARBOXAMIDES AS JANUS KINASE INHIBITORS JAK1, JAK2, JAK3 PRKCI 36/4885AXL 897/4885AURKB 203/4885
US-20100137302-A1 Fused Thiazole Derivatives as Kinase Inhibitors PI4KA, PDPK1, PIK3CA PRKCI 415/4885AXL 446/4885AURKB 324/4885
US-20100298310-A1 Thiazole Derivatives as Kinase Inhibitors TEC, BTK, PI4KA PRKCI 446/4885AXL 521/4885AURKB 420/4885
US-20100305066-A1 Fused Thiophene Derivatives as Kinase Inhibitors PIKFYVE, PI4KA, PIK3CA PRKCI 442/4885AXL 532/4885AURKB 311/4885
US-20080306060-A1 Fused Thiazole Derivatives as Kinase Inhibitors MAP4K2, PDPK1, DAPK2 PRKCI 510/4885AXL 453/4885AURKB 298/4885

“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.