SCHEMBL117222

SCHEMBL117222

Nc1n[nH]c2ccc(C(=O)O)cc12

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 12/20 0.64
JAK1 P23458 7/20 0.64
PDPK1 O15530 1/20 0.53
MAP2K4 P45985 4/20 0.51
MAPK1 P28482 3/20 0.51
MAPKAPK3 Q16644 3/20 0.51
MAPK6 Q16659 3/20 0.51
ULK1 O75385 1/20 0.49
CCNC P24863 3/20 0.48
CDK8 P49336 3/20 0.48
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
THRB P10828 1/20 0.47
HPGD P15428 1/20 0.47
ROCK2 O75116 1/20 0.46
TYK2 P29597 1/20 0.46
JAK3 P52333 1/20 0.46

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
Hydrochloric Acid SCHEMBL17206177 0.98 JAK2 (0.62) JAK2JAK1PDPK1MAP2K4MAPK1
SCHEMBL922195 0.86 PDPK1 (0.53) JAK2JAK1PDPK1MAP2K4MAPK1
SCHEMBL2671620 0.85 JAK2 (0.49) JAK2JAK1MAP2K4MAPK1MAPKAPK3
Hydrochloric Acid SCHEMBL17205412 0.84 PDPK1 (0.51) JAK2JAK1PDPK1MAP2K4MAPK1
SCHEMBL4404641 0.84 JAK2 (0.58) JAK2JAK1PDPK1ULK1CCNC
SCHEMBL3511548 0.83 JAK2 (0.66) JAK2JAK1PDPK1ULK1KDM4E
SCHEMBL2671070 0.82 MAP2K4 (0.55) JAK2JAK1MAP2K4MAPK1MAPKAPK3
SCHEMBL13495835 0.81 JAK2 (0.68) JAK2JAK1PDPK1ULK1CCNC
SCHEMBL8356174 0.81 PRKAG1 (0.52) JAK2JAK1MAP2K4MAPK1MAPKAPK3
SCHEMBL1145076 0.81 MAP2K4 (0.57) JAK2JAK1MAP2K4MAPK1MAPKAPK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107849044-B Triaza-spirodecanones as DDR1 inhibitors 豪夫迈·罗氏有限公司 2021-06-25 CN disclosed
EP-2623101-B1 Piperidine and piperazine derivatives as autotaxin inhibitors MERCK PATENT GMBH (DE) 2021-04-21 EP disclosed
EP-3317279-B1 TRIAZA-SPIRODECANONES AS DDR1 INHIBITORS HOFFMANN LA ROCHE (CH) 2021-01-27 EP disclosed
US-10858321-B2 Composition for inducing cell reprogramming GWANGJU INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2020-12-08 US disclosed
US-10858321-B2 Composition for inducing cell reprogramming GWANGJU INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2020-12-08 US disclosed
EP-3134408-B1 FACTOR XIa INHIBITORS MERCK SHARP & DOHME (US) 2020-08-12 EP disclosed
EP-3134408-B1 FACTOR XIa INHIBITORS MERCK SHARP & DOHME (US) 2020-08-12 EP disclosed
CN-106794172-B Composition for inducing cell reprogramming 光州科学技术院 2020-03-17 CN disclosed
US-10435407-B2 Triaza-spirodecanones as DDR1 inhibitors HOFFMANN-LA ROCHE INC. (US) 2019-10-08 US disclosed
US-20190169189-A1 TRIAZA-SPIRODECANONES AS DDR1 INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2019-06-06 US disclosed
EP-1765788-B1 3-AMINOINDAZOLE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF SGK-ASSOCIATED DISEASES MERCK PATENT GMBH (DE) 2009-06-03 EP disclosed
EP-1765788-B1 3-AMINOINDAZOLE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF SGK-ASSOCIATED DISEASES MERCK PATENT GMBH (DE) 2009-06-03 EP disclosed
US-20090036438-A1 FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-02-05 US disclosed
US-7453002-B2 thrombotic or an inflammatory disorders; improved factor XIa and/or plasma kallikrein inhibitory activity and selectivity, dosage requirment, costs or feasibility, side effect reduction; 4-(aminomethyl)-N-[2-phenyl-1-(4-pyridin-2-yl-1H-imidazol-2-yl)ethyl]-trans-cyclohexanecarboxamide BRISTOL-MYERS SQUIBB COMPANY (US) 2008-11-18 US disclosed
US-20070232620-A1 3-Aminoindazoles MERCK PATENT GMBH (DE) 2007-10-04 US disclosed
US-20070232620-A1 3-Aminoindazoles MERCK PATENT GMBH (DE) 2007-10-04 US disclosed
US-20070232620-A1 3-Aminoindazoles MERCK PATENT GMBH (DE) 2007-10-04 US disclosed
EP-1773786-A2 FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS Bristol-Myers Squibb Company (US) 2007-04-18 EP disclosed
WO-2005123050-A2 FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-12-29 WO disclosed
US-20050282805-A1 thrombotic or an inflammatory disorders; improved factor XIa and/or plasma kallikrein inhibitory activity and selectivity, dosage requirment, costs or feasibility, side effect reduction; 4-(aminomethyl)-N-[2-phenyl-1-(4-pyridin-2-yl-1H-imidazol-2-yl)ethyl]-trans-cyclohexanecarboxamide BRISTOL-MYERS SQUIBB COMPANY 2005-12-22 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-20190169189-A1 TRIAZA-SPIRODECANONES AS DDR1 INHIBITORS DDR1, DDR2, DDRGK1 JAK2 1448/4885JAK1 1291/4885PDPK1 453/4885
US-10858321-B2 Composition for inducing cell reprogramming MCL1, IRF3, STING1 JAK2 1123/4885JAK1 573/4885PDPK1 30/4885
US-10435407-B2 Triaza-spirodecanones as DDR1 inhibitors DDR1, DDR2, DDRGK1 JAK2 1448/4885JAK1 1291/4885PDPK1 453/4885
US-20090036438-A1 FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS F12, F11, F5 JAK2 441/4885JAK1 426/4885PDPK1 2713/4885
US-20050282805-A1 thrombotic or an inflammatory disorders; improved factor XIa and/or plasma kallikrein inhibitory activity and selectivity, dosage requirment, costs or feasibility, side effect reduction; 4-(aminomethyl)-N-[2-phenyl-1-(4-pyridin-2-yl-1H-imidazol-2-yl)ethyl]-trans-cyclohexanecarboxamide F11, TFPI, F12 JAK2 504/4885JAK1 237/4885PDPK1 3591/4885
US-20070232620-A1 3-Aminoindazoles SGK3, SGK1, SGK2 JAK2 562/4885JAK1 343/4885PDPK1 118/4885

“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.