SCHEMBL2651232

SCHEMBL2651232

N#Cc1ccccc1-c1ncc[nH]1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK1A1 P48729 1/20 0.49
TYRO3 Q06418 1/20 0.49
DYRK1B Q9Y463 1/20 0.49
PDE4A P27815 1/20 0.49
PDE4B Q07343 1/20 0.49
PDE4C Q08493 1/20 0.49
PDE4D Q08499 1/20 0.49
MTOR P42345 1/20 0.48
ADK P55263 1/20 0.48
NISCH Q9Y2I1 1/20 0.48
PTGES O14684 2/20 0.47
IDO1 P14902 1/20 0.44
TRPA1 O75762 1/20 0.41
ESR2 Q92731 1/20 0.41
ADRA1A P35348 1/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
KMT2A Q03164 1/20 0.40
LRRK2 Q5S007 3/20 0.39
MCL1 Q07820 1/20 0.39

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 SCHEMBL5855000 0.98 CSNK1A1 (0.47) CSNK1A1TYRO3DYRK1BPDE4APDE4B
SCHEMBL945727 0.82 CSNK1A1 (0.53) CSNK1A1TYRO3DYRK1BPDE4APDE4B
SCHEMBL20497275 0.81 LRRK2 (0.46) CSNK1A1TYRO3DYRK1BPDE4APDE4B
SCHEMBL9287236 0.80 NISCH (0.64) CSNK1A1TYRO3DYRK1BMTORADK
SCHEMBL5271260 0.80 CSNK1A1 (0.38) CSNK1A1TYRO3DYRK1BPDE4APDE4B
SCHEMBL14886257 0.78 NISCH (0.61) CSNK1A1TYRO3DYRK1BMTORADK
SCHEMBL1239841 0.78 ADRA2A (0.46) CSNK1A1TYRO3DYRK1BPDE4APDE4B
SCHEMBL8538740 0.78 NISCH (0.46) PDE4APDE4BPDE4CPDE4DMTOR
SCHEMBL4765948 0.77 LRRK2 (0.44) CSNK1A1TYRO3DYRK1BPDE4APDE4B
SCHEMBL5012098 0.77 PDE4A (0.44) PDE4APDE4BPDE4CPDE4DMTOR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023237381-A1 PROCESS FOR THE SYNTHESIS OF POLYETHYLENES OR COPOLYMERS OF ETHYLENE AND 1,3-DIENE HAVING A TERMINAL KETONE FUNCTION COMPAGNIE GENERALE DES ETABLISSEMENTS MICHELIN (FR) 2023-12-14 WO disclosed
CN-116829353-A Epoxy resin composition, cured product thereof, and laminate DIC株式会社 2023-09-29 CN disclosed
CN-116217546-A Electronic transmission layer material with phenanthroimidazole as core skeleton and organic electroluminescent diode and preparation method thereof 青岛科技大学 2023-06-06 CN disclosed
US-10617685-B2 Nonsteroidal and steroidal compounds with potent androgen receptor down-regulation and anti prostate cancer activity UNIVERSITY OF MARYLAND, BALTIMORE (US) 2020-04-14 US disclosed
US-20170266181-A1 NONSTEROIDAL AND STEROIDAL COMPOUNDS WITH POTENT ANDROGEN RECEPTOR DOWN-REGULATION AND ANTI PROSTATE CANCER ACTIVITY UNIVERSITY OF MARYLAND, BALTIMORE (US) 2017-09-21 US disclosed
US-20100145056-A1 ACETYL 2-HYDROXY-1,3-DIAMINOALKANES JOHN VARGHESE 2010-06-10 US disclosed
US-7645780-B2 Acetyl 2-hydroxy-1, 3-diaminoalkanes ELAN PHARMACEUTICALS, INC. (US) 2010-01-12 US disclosed
EP-1635813-A4 COMBINATION THERAPY FOR THE TREATMENT OF DYSLIPIDEMIA MERCK & CO INC (US) 2009-07-01 EP disclosed
US-7544717-B2 2-amino- and 2-thio- substituted 1,3-diaminopropanes ELAN PHARMACEUTICALS, INC. (US) 2009-06-09 US disclosed
CN-100384824-C Acetyl 2-hydroxy-1, 3-diaminoalkanes PHARMACIA & UPJOHN CO LLC (US) 2008-04-30 CN disclosed
US-6610701-B2 For therapy and prophylaxis of blood coagulation and cardiovascular disorders MERCK & CO., INC. 2003-08-26 US disclosed
US-20020193398-A1 Thrombin inhibitors MERCK & CO., INC. 2002-12-19 US disclosed
WO-2002064211-A1 THROMBIN INHIBITORS MERCK & CO., INC. (US) 2002-08-22 WO disclosed
WO-2002064140-A1 THROMBIN INHIBITORS MERCK & CO., INC. (US) 2002-08-22 WO disclosed
WO-2002064559-A2 THROMBIN INHIBITORS MERCK & CO., INC. (US) 2002-08-22 WO disclosed
EP-0358284-B1 Derivatized alkanolamines as cardiovascular agents SCHERING AG (DE) 1997-08-20 EP disclosed
US-5420148-A SYNERGISTIC MIXTURE OF A 2-CYANOBENZIMIDAZOLE DERIVATIVE AND A KNOWN FUNGICIDE BAYER AKTIENGESELLSCHAFT (DE) 1995-05-30 US disclosed
US-5051423-A Derivatized alkanolamines as cardiovascular agents SCHERING AG (DE) 1991-09-24 US disclosed
EP-0358284-A2 Derivatized alkanolamines as cardiovascular agents SCHERING AKTIENGESELLSCHAFT (DE) 1990-03-14 EP disclosed
WO-1990000548-A2 DERIVATIZED ALKANOLAMINES AS CARDIOVASCULAR AGENTS SCHERING AKTIENGESELLSCHAFT BERLIN AND BERGKAMEN (DE) 1990-01-25 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 (4 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-20100145056-A1 ACETYL 2-HYDROXY-1,3-DIAMINOALKANES BACE1, BACE2, APP CSNK1A1 428/4885TYRO3 3836/4885DYRK1B 3612/4885
US-10617685-B2 Nonsteroidal and steroidal compounds with potent androgen receptor down-regulation and anti prostate cancer activity AR, NR5A1, BRCA1 CSNK1A1 649/4885TYRO3 4397/4885DYRK1B 4075/4885
US-20020193398-A1 Thrombin inhibitors F2, F3, TFPI CSNK1A1 3419/4885TYRO3 1469/4885DYRK1B 4309/4885
US-20170266181-A1 NONSTEROIDAL AND STEROIDAL COMPOUNDS WITH POTENT ANDROGEN RECEPTOR DOWN-REGULATION AND ANTI PROSTATE CANCER ACTIVITY AR, NR5A1, BRCA1 CSNK1A1 649/4885TYRO3 4397/4885DYRK1B 4075/4885

“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.