SCHEMBL4006768

SCHEMBL4006768

CCc1ncnc2[nH]ccc12

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TTBK1 Q5TCY1 4/20 0.48
TTBK2 Q6IQ55 4/20 0.48
JAK2 O60674 1/20 0.47
AKT2 P31751 1/20 0.45
GSK3B P49841 1/20 0.45
CSF1R P07333 1/20 0.45
JAK3 P52333 5/20 0.45
CDC7 O00311 1/20 0.44
DBF4 Q9UBU7 1/20 0.44
NOTUM Q6P988 1/20 0.44
TRPA1 O75762 1/20 0.44
LCK P06239 1/20 0.43
JAK1 P23458 1/20 0.43
HPGDS O60760 1/20 0.42

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
SCHEMBL20220690 0.85 TTBK1 (0.49) TTBK1TTBK2JAK2AKT2GSK3B
SCHEMBL24345975 0.82 AKT2 (0.50) TTBK1TTBK2JAK2AKT2GSK3B
SCHEMBL14355258 0.81 JAK2 (0.47) TTBK1TTBK2JAK2AKT2GSK3B
Hydrochloric Acid SCHEMBL4974811 0.81 AKT2 (0.49) TTBK1TTBK2JAK2AKT2GSK3B
SCHEMBL12561826 0.80 JAK3 (0.44) TTBK1TTBK2JAK2AKT2GSK3B
SCHEMBL21715896 0.80 TTBK1 (0.45) TTBK1TTBK2JAK2AKT2GSK3B
SCHEMBL27020416 0.80 TTBK1 (0.45) TTBK1TTBK2JAK2AKT2GSK3B
SCHEMBL13961511 0.78 JAK3 (0.45) TTBK1TTBK2JAK2AKT2GSK3B
SCHEMBL14907686 0.77 JAK2 (0.44) TTBK1TTBK2JAK2AKT2GSK3B
SCHEMBL18238494 0.75 ADORA2A (0.40) TTBK1TTBK2JAK2AKT2GSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024042448-A1 AN IMPROVED PROCESS FOR THE PREPARATION OF RUXOLITINIB GRANULES INDIA LIMITED (IN) 2024-02-29 WO disclosed
WO-2023223253-A1 PROCESS FOR PREPARATION OF RUXOLITINIB GLENMARK LIFE SCIENCES LIMITED (IN) 2023-11-23 WO disclosed
CN-111712498-B Substituted bicyclic heterocyclic compounds as PRMT5 inhibitors 鲁平有限公司 2023-09-29 CN disclosed
US-20230055961-A1 PENTAFLUOROBENZENESULFONAMIDE DERIVATIVES AND USES THEREOF DUNAD THERAPEUTICS LTD. (GB) 2023-02-23 US disclosed
US-20210139484-A1 DIHYDROISOQUINOLINE-2(1H)-CARBOXAMIDE AND RELATED COMPOUNDS AND THEIR USE IN TREATING MEDICAL CONDITIONS GOSSAMER BIO SERVICES INC (US) 2021-05-13 US disclosed
EP-3154962-B1 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS GILEAD SCIENCES INC (US) 2019-08-07 EP disclosed
US-20190040080-A1 BIARYL KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2019-02-07 US disclosed
US-9938276-B2 6,5-bicyclic octahydropyrrolopyridine orexin receptor antagonists MERCK SHARP & DOHME CORP. (US) 2018-04-10 US disclosed
WO-2017215627-A1 PREPARATION METHOD FOR CHIRAL PYRROLOPYRIMIDINE COMPOUND 正大天晴药业集团股份有限公司 2017-12-21 WO disclosed
US-20170320874-A1 6,5-BICYCLIC OCTAHYDROPYRROLOPYRIDINE OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2017-11-09 US disclosed
US-20110015212-A1 PYRIMIDINONES AS PI3K INHIBITORS INCYTE CORPORATION 2011-01-20 US disclosed
US-20100311766-A1 ANTIBACTERIAL COMPOSITIONS BIOTA EUROPE LTD (GB) 2010-12-09 US disclosed
US-20090318436-A1 Fused heterocyclic derivatives and methods of use AMGEN INC. (US) 2009-12-24 US disclosed
US-20090197877-A1 Antibacterial Compositions PROLYSIS LTD. (GB) 2009-08-06 US disclosed
WO-2009080682-A1 PYRROLO[2,3-D]PYRIMIDINE DERIVATIVES AS CGRP RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2009-07-02 WO disclosed
WO-2009080682-A1 PYRROLO[2,3-D]PYRIMIDINE DERIVATIVES AS CGRP RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2009-07-02 WO disclosed
US-20090124612-A1 Fused heterocyclic derivatives and methods of use AMGEN INC. (US) 2009-05-14 US disclosed
US-7435823-B2 Compounds and methods of use AMGEN INC. (US) 2008-10-14 US disclosed
WO-2008075172-A2 NICOTINAMIDE DERIVATIVES AS INHIBITORS OF H-PGDS AND THEIR USE FOR TREATING PROSTAGLANDIN D2 MEDIATED DISEASES PFIZER PRODUCTS INC. (US) 2008-06-26 WO disclosed
US-20080146569-A1 Nicotinamide Derivatives PFIZER INC. 2008-06-19 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 (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-20090318436-A1 Fused heterocyclic derivatives and methods of use HGF, HGFAC, MET TTBK1 2311/4885TTBK2 2390/4885JAK2 320/4885
US-20190040080-A1 BIARYL KINASE INHIBITORS AAK1, CAMKK1, CAMKK2 TTBK1 27/4885TTBK2 49/4885JAK2 1385/4885
US-20090124612-A1 Fused heterocyclic derivatives and methods of use HGF, HGFAC, MET TTBK1 2311/4885TTBK2 2390/4885JAK2 320/4885
US-20090197877-A1 Antibacterial Compositions CYCS, COX6C, INTS6 TTBK1 2335/4885TTBK2 2710/4885JAK2 3463/4885
US-20100311766-A1 ANTIBACTERIAL COMPOSITIONS C5, AGK, CYCS TTBK1 1463/4885TTBK2 2480/4885JAK2 2733/4885
US-20210139484-A1 DIHYDROISOQUINOLINE-2(1H)-CARBOXAMIDE AND RELATED COMPOUNDS AND THEIR USE IN TREATING MEDICAL CONDITIONS ULK1, PHKG2, PHKG1 TTBK1 225/4885TTBK2 411/4885JAK2 718/4885
US-20080146569-A1 Nicotinamide Derivatives NNT, NAMPT, NADK TTBK1 3469/4885TTBK2 3682/4885JAK2 2663/4885
US-20230055961-A1 PENTAFLUOROBENZENESULFONAMIDE DERIVATIVES AND USES THEREOF FURIN, PFAS, CFTR TTBK1 3603/4885TTBK2 2919/4885JAK2 389/4885
US-20110015212-A1 PYRIMIDINONES AS PI3K INHIBITORS PIK3CA, PIK3CD, PIK3CB TTBK1 1356/4885TTBK2 1560/4885JAK2 37/4885
US-20170320874-A1 6,5-BICYCLIC OCTAHYDROPYRROLOPYRIDINE OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NPY5R TTBK1 4228/4885TTBK2 4068/4885JAK2 3105/4885

“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.