SCHEMBL1696402

SCHEMBL1696402

CCc1ccc2[nH]nc(N)c2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 15/20 0.55
PDPK1 O15530 2/20 0.55
TYK2 P29597 5/20 0.48
JAK3 P52333 5/20 0.48
ROCK1 Q13464 5/20 0.48
CLK4 Q9HAZ1 5/20 0.48
PLK4 O00444 4/20 0.48
DAPK3 O43293 4/20 0.48
DYRK3 O43781 4/20 0.48
ROCK2 O75116 4/20 0.48
MAP4K4 O95819 4/20 0.48
CDK1 P06493 4/20 0.48
CDK2 P24941 4/20 0.48
MARK3 P27448 4/20 0.48
CLK2 P49760 4/20 0.48
LIMK1 P53667 4/20 0.48
CDK5 Q00535 4/20 0.48
PRKCD Q05655 4/20 0.48
DYRK1A Q13627 4/20 0.48
PKN2 Q16513 4/20 0.48

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
SCHEMBL2660964 0.86 JAK2 (0.51) JAK2PDPK1TYK2JAK3ROCK1
SCHEMBL91579 0.85 PDPK1 (0.55) JAK2PDPK1JAK3ROCK1CDK2
SCHEMBL7214708 0.83 JAK2 (0.56) JAK2PDPK1TYK2JAK3ROCK1
SCHEMBL12125261 0.82 MEN1 (0.50) JAK2PDPK1TYK2JAK3ROCK1
Hydrochloric Acid SCHEMBL7214665 0.81 JAK2 (0.55) JAK2PDPK1TYK2JAK3ROCK1
SCHEMBL14177539 0.81 JAK2 (0.55) JAK2PDPK1TYK2JAK3ROCK1
SCHEMBL4542210 0.81 JAK2 (0.59) JAK2PDPK1TYK2JAK3ROCK1
SCHEMBL91441 0.81 NTRK1 (0.43) JAK2GAAKDM4EMEN1NPC1
SCHEMBL7978106 0.81 HTR1D (0.41) GAAKDM4EMEN1NPC1ALDH1A1
SCHEMBL2667981 0.81 JAK2 (0.57) JAK2PDPK1TYK2JAK3ROCK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230183214-A1 IL4I1 INHIBITORS AND METHODS OF USE MERCK SHARP & DOHME LLC 2023-06-15 US disclosed
US-20220169676-A1 INHIBITORS OF GROWTH FACTOR ACTIVATION ENZYMES WASHINGTON UNIVERSITY (US) 2022-06-02 US disclosed
US-11130780-B2 Inhibitors of growth factor activation enzymes WASHINGTON UNIVERSITY (US) 2021-09-28 US disclosed
US-20180066015-A1 INHIBITORS OF GROWTH FACTOR ACTIVATION ENZYMES WASHINGTON UNIVERSITY (US) 2018-03-08 US disclosed
WO-2016033243-A9 ANTIRETROVIRAL AGENTS GILEAD SCIENCES, INC. (US) 2016-05-19 WO disclosed
EP-2729448-B1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES INC (US) 2015-09-09 EP disclosed
US-20140303164-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2014-10-09 US disclosed
US-8716492-B2 Five-membered heterocycles useful as serine protease inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-05-06 US disclosed
US-8466295-B2 Thiophene derivatives as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-06-18 US disclosed
US-20120270853-A1 ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2012-10-25 US 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-20080262208-A1 6-11 Bridged Oxime Erythromycin Derivatives WANG GUOQIANG 2008-10-23 US disclosed
EP-1966152-A2 GLUCOKINASE ACTIVATORS Takeda Pharmaceutical Company Limited (JP) 2008-09-10 EP disclosed
US-20080161373-A1 ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB CO. 2008-07-03 US disclosed
US-7384922-B2 6-11 bridged oxime erythromycin derivatives ENANTA PHARMACEUTICALS, INC. (US) 2008-06-10 US disclosed
US-20070244169-A1 GLUCOKINASE ACTIVATORS TAKEDA SAN DIEGO, INC. 2007-10-18 US disclosed
US-20070244169-A1 GLUCOKINASE ACTIVATORS TAKEDA SAN DIEGO, INC. 2007-10-18 US disclosed
US-20070244169-A1 GLUCOKINASE ACTIVATORS TAKEDA SAN DIEGO, INC. 2007-10-18 US disclosed
WO-2007075847-A2 GLUCOKINASE ACTIVATORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-07-05 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 (10 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-20120270853-A1 ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS TFPI, F11, F12 JAK2 237/4885PDPK1 1712/4885TYK2 219/4885
US-20080161373-A1 ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS TFPI, F11, F12 JAK2 237/4885PDPK1 1712/4885TYK2 219/4885
US-20230183214-A1 IL4I1 INHIBITORS AND METHODS OF USE IL4I1, IL4, IL2 JAK2 51/4885PDPK1 3620/4885TYK2 268/4885
US-20070244169-A1 GLUCOKINASE ACTIVATORS GCK, GCKR, GALK1 JAK2 2370/4885PDPK1 148/4885TYK2 2561/4885
US-11130780-B2 Inhibitors of growth factor activation enzymes HDGF, MMP7, HGF JAK2 729/4885PDPK1 3145/4885TYK2 3421/4885
US-20220169676-A1 INHIBITORS OF GROWTH FACTOR ACTIVATION ENZYMES HDGF, MMP7, HGF JAK2 729/4885PDPK1 3145/4885TYK2 3421/4885
US-20140303164-A1 THERAPEUTIC COMPOUNDS HAVCR2, SARS1, G6PD JAK2 2111/4885PDPK1 2494/4885TYK2 4322/4885
US-20090036438-A1 FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS F12, F11, F5 JAK2 441/4885PDPK1 2713/4885TYK2 1006/4885
US-20080262208-A1 6-11 Bridged Oxime Erythromycin Derivatives CYP2D6, CYP2B6, CYP1B1 JAK2 1661/4885PDPK1 4639/4885TYK2 1494/4885
US-20180066015-A1 INHIBITORS OF GROWTH FACTOR ACTIVATION ENZYMES HDGF, MMP7, HGF JAK2 729/4885PDPK1 3145/4885TYK2 3421/4885

“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.