SCHEMBL844231

SCHEMBL844231

c1cnc(C2CNCC[N]2)cn1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 1/20 0.39
CHRNB2 P17787 2/20 0.37
CHRNA4 P43681 2/20 0.37
CHRNB4 P30926 1/20 0.37
CHRNA3 P32297 1/20 0.37
CHRNA7 P36544 1/20 0.37
CHEK1 O14757 1/20 0.30
CCNA2 P20248 1/20 0.30
CDK2 P24941 1/20 0.30
CCNA1 P78396 1/20 0.30

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
SCHEMBL844622 0.76 NISCH (0.39) NISCH
SCHEMBL4681860 0.75 GSK3B (0.33)
SCHEMBL2645525 0.73 NISCH (0.34) NISCH
SCHEMBL29889443 0.71 CHEK1 (0.41) NISCHCHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL3954850 0.71 CHEK1 (0.41) NISCHCHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL8271401 0.71 CHEK1 (0.41) NISCHCHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL19116619 0.71 CHEK1 (0.41) NISCHCHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL1461391 0.71 NISCH (0.33) NISCH
SCHEMBL1461219 0.71 CHRNB2 (0.50) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL1254387 0.71 HTR2A (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118201929-A PROTAC compound, pharmaceutical composition containing same, and preparation method and application thereof 广东弘烨医药科技有限公司 2024-06-14 CN claimed
US-20120095005-A1 Fused Bicyclic Pyrazole Derivatives As Kinase Inhibitors UCB PHARMA S.A. (BE) 2012-04-19 US claimed
EP-2432784-A1 FUSED BICYCLIC PYRAZOLE DERIVATIVES AS KINASE INHIBITORS UCB Pharma, S.A. (BE) 2012-03-28 EP claimed
WO-2010133836-A1 FUSED BICYCLIC PYRAZOLE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA S.A. (BE) 2010-11-25 WO claimed
WO-2008098143-A2 ANTIMICROBIAL COMPOUNDS AND METHODS OF USE TRIUS THERAPEUTICS (US) 2008-08-14 WO claimed
EP-1430048-A1 3-(ARYLAMINO)METHYLENE-1, 3-DIHYDRO-2H-INDOL-2-ONES AS KINASE INHIBITORS Allergan, Inc. (US) 2004-06-23 EP claimed
WO-2004050621-A2 INDOL DERIVATIVES AND THEIR USE AS KINASE INHIBITORS ALLERGAN, INC (US) 2004-06-17 WO claimed
WO-2003027102-A1 3-(ARYLAMINO)METHYLENE-1, 3-DIHYDRO-2H-INDOL-2-ONES AS KINASE INHIBITORS ALLERGAN, INC. (US) 2003-04-03 WO claimed
EP-1230235-A1 COMPOUNDS WITH ANTIBACTERIAL AND ANTIPARASITIC PROPERTIES New Pharma Research Sweden AB (SE) 2002-08-14 EP claimed
WO-2001036408-A1 COMPOUNDS WITH ANTIBACTERIAL AND ANTIPARASITIC PROPERTIES NEW PHARMA RESEARCH SWEDEN AB (SE) 2001-05-25 WO claimed
CN-118201929-A PROTAC compound, pharmaceutical composition containing same, and preparation method and application thereof 广东弘烨医药科技有限公司 2024-06-14 CN disclosed
US-20120214798-A1 Novel Ethanediamone Hepcidine Antagonists VIFOR (INTERNATIONAL) AG (CH) 2012-08-23 US disclosed
EP-2475643-A1 NOVEL ETHANE DIAMINE HEPCIDIN ANTAGONISTS VIFOR (INTERNATIONAL) AG (CH) 2012-07-18 EP disclosed
US-20120095005-A1 Fused Bicyclic Pyrazole Derivatives As Kinase Inhibitors UCB PHARMA S.A. (BE) 2012-04-19 US disclosed
EP-2432784-A1 FUSED BICYCLIC PYRAZOLE DERIVATIVES AS KINASE INHIBITORS UCB Pharma, S.A. (BE) 2012-03-28 EP disclosed
US-6300330-B1 BLOOD COAGULATION FACTOR X INHIBITORS AS ANTICOAGULANTS ZENECA LIMITED (GB) 2001-10-09 US disclosed
WO-2001036408-A1 COMPOUNDS WITH ANTIBACTERIAL AND ANTIPARASITIC PROPERTIES NEW PHARMA RESEARCH SWEDEN AB (SE) 2001-05-25 WO disclosed
EP-0897912-A1 Amidino derivatives useful as nitric oxide synthase inhibitors G.D. SEARLE & CO. (US) 1999-02-24 EP disclosed
US-5382661-A Useful in treating spinal trauma, head injury, subarachnoid hemorrhage THE UPJOHN COMPANY (US) 1995-01-17 US disclosed
US-5382661-A Useful in treating spinal trauma, head injury, subarachnoid hemorrhage THE UPJOHN COMPANY (US) 1995-01-17 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 (2 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-20120095005-A1 Fused Bicyclic Pyrazole Derivatives As Kinase Inhibitors PI4KA, PDPK1, PIK3CA NISCH 2053/4885CHRNB2 2161/4885CHRNA4 2476/4885
US-20120214798-A1 Novel Ethanediamone Hepcidine Antagonists HAMP, SLC40A1, FTH1 NISCH 298/4885CHRNB2 4523/4885CHRNA4 4563/4885

“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.