SCHEMBL2111843

SCHEMBL2111843

COc1ncnc2[nH]cc(I)c12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 2/20 0.56
TRPA1 O75762 4/20 0.56
PDPK1 O15530 2/20 0.40
MAP3K7 O43318 11/20 0.39
TAB1 Q15750 11/20 0.39
JAK2 O60674 1/20 0.38
JAK3 P52333 1/20 0.38
CDC7 O00311 1/20 0.38
PLK4 O00444 1/20 0.38
CHUK O15111 1/20 0.38
DYRK3 O43781 1/20 0.38
ROCK2 O75116 1/20 0.38
PRKD3 O94806 1/20 0.38
MAP4K4 O95819 1/20 0.38
PAK4 O96013 1/20 0.38
NTRK1 P04629 1/20 0.38
PRKCG P05129 1/20 0.38
INSR P06213 1/20 0.38
LCK P06239 1/20 0.38
FYN P06241 1/20 0.38

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
SCHEMBL12235957 0.83 TRPA1 (0.53) CHEK1TRPA1PDPK1MAP3K7TAB1
SCHEMBL2544455 0.82 TRPA1 (0.50) CHEK1TRPA1PDPK1MAP3K7TAB1
SCHEMBL15550412 0.79 MAP3K7 (0.64) MAP3K7TAB1
SCHEMBL4005872 0.79 PDPK1 (0.40) CHEK1TRPA1PDPK1MAP3K7TAB1
SCHEMBL21246744 0.78 TRPA1 (0.49) CHEK1TRPA1PDPK1MAP3K7TAB1
SCHEMBL22569543 0.77 CHEK1 (0.50) CHEK1TRPA1PDPK1MAP3K7TAB1
SCHEMBL16912343 0.77 MAP3K7 (0.59) CHEK1TRPA1MAP3K7TAB1CDK1
SCHEMBL30372603 0.76 IRAK4 (0.45) CHEK1TRPA1PDPK1MAP3K7TAB1
SCHEMBL2537071 0.76 CHEK1 (0.61) CHEK1TRPA1MAP3K7TAB1JAK2
SCHEMBL22912722 0.75 CHEK1 (0.66) CHEK1TRPA1PDPK1MAP3K7TAB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250136606-A1 MODULATORS OF TRPML, THEIR COMPOSITIONS AND METHODS OF USE CARAWAY THERAPEUTICS, INC. (US) 2025-05-01 US disclosed
EP-4408850-A1 MODULATORS OF TRPML, THEIR COMPOSITIONS AND METHODS OF USE Caraway Therapeutics, Inc. (US) 2024-08-07 EP disclosed
CN-118317963-A TRPML modulators, compositions thereof, and methods of use 卡拉韦治疗公司 2024-07-09 CN disclosed
WO-2023055920-A1 MODULATORS OF TRPML, THEIR COMPOSITIONS AND METHODS OF USE CARAWAY THERAPEUTICS, INC. (US) 2023-04-06 WO disclosed
US-20210395221-A1 THERAPEUTIC INHIBITORY COMPOUNDS ATTUNE PHARMACEUTICALS INC (US) 2021-12-23 US disclosed
US-20210395221-A1 THERAPEUTIC INHIBITORY COMPOUNDS ATTUNE PHARMACEUTICALS INC (US) 2021-12-23 US disclosed
US-10781200-B2 Therapeutic inhibitory compounds ATTUNE PHARMACEUTICALS, INC. (US) 2020-09-22 US disclosed
US-10781200-B2 Therapeutic inhibitory compounds ATTUNE PHARMACEUTICALS, INC. (US) 2020-09-22 US disclosed
US-20200239435-A1 THERAPEUTIC INHIBITORY COMPOUNDS ATTUNE PHARMACEUTICALS, INC. 2020-07-30 US disclosed
US-20200239435-A1 THERAPEUTIC INHIBITORY COMPOUNDS ATTUNE PHARMACEUTICALS, INC. 2020-07-30 US disclosed
US-20120165329-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC 2012-06-28 US disclosed
US-20120165329-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC 2012-06-28 US disclosed
US-20120165329-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC 2012-06-28 US disclosed
US-8158636-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2012-04-17 US disclosed
US-8158636-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2012-04-17 US disclosed
US-8158636-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2012-04-17 US disclosed
WO-2009143018-A2 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON, INC. (US) 2009-11-26 WO disclosed
US-20090286782-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON, INC. 2009-11-19 US disclosed
US-20090286782-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON, INC. 2009-11-19 US disclosed
US-20090286782-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON, INC. 2009-11-19 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 (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-20090286782-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PRKDC, PRKACA, PRKACG CHEK1 310/4885TRPA1 3284/4885PDPK1 138/4885
US-20120165329-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PRKDC, PRKACA, PRKACG CHEK1 310/4885TRPA1 3284/4885PDPK1 138/4885
US-20200239435-A1 THERAPEUTIC INHIBITORY COMPOUNDS KLKB1, SERPINB1, SERPINE1 CHEK1 1372/4885TRPA1 2375/4885PDPK1 663/4885
US-20250136606-A1 MODULATORS OF TRPML, THEIR COMPOSITIONS AND METHODS OF USE MCOLN1, TRPM2, PKD2 CHEK1 1619/4885TRPA1 30/4885PDPK1 1133/4885
US-20210395221-A1 THERAPEUTIC INHIBITORY COMPOUNDS KLKB1, SERPINB1, SERPINE1 CHEK1 1372/4885TRPA1 2375/4885PDPK1 663/4885
US-10781200-B2 Therapeutic inhibitory compounds KLKB1, SERPINB1, SERPINE1 CHEK1 1372/4885TRPA1 2375/4885PDPK1 663/4885

“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.