SCHEMBL904545

SCHEMBL904545

CC(C)(C)c1nc2c3ccc(F)cc3c3c(=O)[nH]ccc3c2[nH]1

nearest known ligand 0.91

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 17/20 0.91
CHEK1 O14757 4/20 0.91
JAK3 P52333 3/20 0.91
JAK1 P23458 2/20 0.91
TYK2 P29597 2/20 0.91
IKBKB O14920 1/20 0.91
MAPK13 O15264 1/20 0.91
DAPK3 O43293 1/20 0.91
PRKD3 O94806 1/20 0.91
FYN P06241 1/20 0.91
RET P07949 1/20 0.91
HCK P08631 1/20 0.91
PDGFRB P09619 1/20 0.91
PIM1 P11309 1/20 0.91
FGFR1 P11362 1/20 0.91
PDGFRA P16234 1/20 0.91
PRKCA P17252 1/20 0.91
PRKACA P17612 1/20 0.91
FLT1 P17948 1/20 0.91
FGFR2 P21802 1/20 0.91

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
SCHEMBL29521847 1.00 JAK2 (0.91) JAK2CHEK1JAK3JAK1TYK2
SCHEMBL1679794 0.95 JAK2 (1.00) JAK2CHEK1JAK3JAK1TYK2
SCHEMBL5761824 0.84 JAK2 (0.66) JAK2CHEK1JAK3JAK1TYK2
SCHEMBL5759495 0.84 JAK2 (0.65) JAK2CHEK1JAK3JAK1TYK2
SCHEMBL5759753 0.83 JAK2 (0.68) JAK2CHEK1JAK3JAK1TYK2
SCHEMBL2304822 0.83 JAK2 (0.64) JAK2CHEK1JAK3JAK1TYK2
SCHEMBL13741485 0.83 JAK2 (0.71) JAK2CHEK1JAK3JAK1TYK2
SCHEMBL3311115 0.83 JAK2 (0.67) JAK2CHEK1JAK3JAK1TYK2
SCHEMBL4099738 0.82 JAK2 (0.63) JAK2CHEK1JAK3JAK1TYK2
SCHEMBL8091367 0.81 JAK2 (0.62) JAK2CHEK1JAK3JAK1TYK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3365429-B1 PRODUCTION OF VIRUS-RECEPTIVE PLURIPOTENT STEM CELL (PSC)-DERIVED HEPATOCYTES FUJIFILM CELLULAR DYNAMICS INC (US) 2020-03-11 EP claimed
US-10093903-B2 Production of virus-receptive pluripotent stem cell (PSC)-derived hepatocytes FUJIFILM Cellular Dynamics, Inc. (US) 2018-10-09 US claimed
EP-3365429-A1 PRODUCTION OF VIRUS-RECEPTIVE PLURIPOTENT STEM CELL (PSC)-DERIVED HEPATOCYTES FUJIFILM Cellular Dynamics, Inc. (US) 2018-08-29 EP claimed
US-20170172989-A1 TREATMENT OF CANCERS HAVING RESISTANCE TO CHEMOTHERAPEUTIC AGENTS BAYER HEALTHCARE LLC (US) 2017-06-22 US claimed
WO-2017070145-A1 PRODUCTION OF VIRUS-RECEPTIVE PLURIPOTENT STEM CELL (PSC)-DERIVED HEPATOCYTES CELLULAR DYNAMICS INTERNATIONAL, INC. (US) 2017-04-27 WO claimed
US-20170107485-A1 PRODUCTION OF VIRUS-RECEPTIVE PLURIPOTENT STEM CELL (PSC)-DERIVED HEPATOCYTES FUJIFILM Cellular Dynamics, Inc. 2017-04-20 US claimed
US-20100173954-A1 TREATMENT OF CANCERS HAVING RESISTANCE TO CHEMOTHERAPEUTIC AGENTS BAYER HEALTHCARE LLC (US) 2010-07-08 US claimed
EP-2114403-A2 TREATMENT OF CANCERS HAVING RESISTANCE TO CHEMOTHERAPEUTIC AGENTS Bayer Healthcare, LLC (US) 2009-11-11 EP claimed
WO-2008089388-A2 TREATMENT OF CANCERS HAVING RESISTANCE TO CHEMOTHERAPEUTIC AGENTS BAYER HEALTHCARE LLC (US) 2008-07-24 WO claimed
US-12616759-B2 Uses of labeled HSP90 inhibitors SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2026-05-05 US disclosed
US-20240058482-A1 USES OF LABELED HSP90 INHIBITORS SLOAN KETTERING INST CANCER RES (US) 2024-02-22 US disclosed
EP-3803402-B1 ANTI-CANCER TREATMENT OF PRESELECTED SUBJECTS AND SCREENING METHODS TO IDENTIFY SUSCEPTIBLE SUBJECTS TUDAG TU DRESDEN AG (DE) 2023-04-26 EP disclosed
US-11607465-B2 Uses of labeled HSP90 inhibitors SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2023-03-21 US disclosed
US-11534464-B2 Direct reprogramming of cells to cardiac myocyte fate DUKE UNIVERSITY (US) 2022-12-27 US disclosed
WO-2008144011-A1 COMPOUNDS AND METHODS FOR TREATING OR PREVENTING AUTOIMMUNE DISEASES AVALON PHARMACEUTICALS (US) 2008-11-27 WO disclosed
US-20080242594-A1 Methods for Promoting Stem Cell Proliferation and Survival THE GOVERNMENT OF THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES 2008-10-02 US disclosed
WO-2007059155-A1 TREATMENT OF CANCERS HAVING RESISTANCE TO CHEMOTHERAPEUTIC AGENTS BAYER PHARMACEUTICALS CORPORATION (US) 2007-05-24 WO disclosed
EP-1414443-B1 BENZIMIDAZO 4,5-f|ISOQUINOLINONE DERIVATIVES MERCK & CO INC (US) 2006-11-15 EP disclosed
US-6852727-B2 Benzimisazo[4,5-f]isoquinolinone derivatives MERCK & CO., INC. (US) 2005-02-08 US disclosed
US-20040176601-A1 Benzimisazo[4,5-f]isoquinolinone derivatives MERCK SHARP & DOHME LLC 2004-09-09 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 (7 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-20040176601-A1 Benzimisazo[4,5-f]isoquinolinone derivatives JAK1, JAK3, JAK2 JAK2 3/4885CHEK1 1006/4885JAK3 2/4885
US-20240058482-A1 USES OF LABELED HSP90 INHIBITORS HSP90AB1, HSP90B1, HSP90AA1 JAK2 1605/4885CHEK1 1052/4885JAK3 3772/4885
US-20170172989-A1 TREATMENT OF CANCERS HAVING RESISTANCE TO CHEMOTHERAPEUTIC AGENTS CDK4, TP53, ABCC1 JAK2 1208/4885CHEK1 47/4885JAK3 912/4885
US-12616759-B2 Uses of labeled HSP90 inhibitors HSP90AB1, HSP90B1, HSP90AB2P JAK2 85/4885CHEK1 812/4885JAK3 819/4885
US-11534464-B2 Direct reprogramming of cells to cardiac myocyte fate MYLK2, TNNI3, TNNT2 JAK2 3559/4885CHEK1 4402/4885JAK3 3462/4885
US-11607465-B2 Uses of labeled HSP90 inhibitors HSP90AB1, HSP90B1, HSP90AA1 JAK2 1605/4885CHEK1 1052/4885JAK3 3772/4885
US-20100173954-A1 TREATMENT OF CANCERS HAVING RESISTANCE TO CHEMOTHERAPEUTIC AGENTS CDK4, TP53, ABCC1 JAK2 1208/4885CHEK1 47/4885JAK3 912/4885

“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.