SCHEMBL937500

SCHEMBL937500

O=C(c1c(F)cccc1F)N1CCNCC1

nearest known ligand 0.71

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.71
CYP1A2 P05177 1/20 0.59
CYP2C9 P11712 1/20 0.59
CYP2C19 P33261 1/20 0.59
HRH4 Q9H3N8 1/20 0.58
HTT P42858 1/20 0.58
ALDH1A1 P00352 3/20 0.56
KDM4E B2RXH2 1/20 0.56
SIGMAR1 Q99720 1/20 0.56
KMT2A Q03164 1/20 0.54
TSHR P16473 1/20 0.50
RXFP1 Q9HBX9 1/20 0.50
HPGD P15428 1/20 0.47
REN P00797 2/20 0.47

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
SCHEMBL938517 0.86 LMNA (0.54) LMNACYP1A2CYP2C9CYP2C19HRH4
SCHEMBL30903125 0.85 LMNA (0.53) LMNACYP1A2CYP2C9CYP2C19HRH4
SCHEMBL14103288 0.83 LMNA (1.00) LMNACYP1A2CYP2C9CYP2C19HTT
SCHEMBL3584113 0.82 HRH4 (0.48) LMNAHRH4SIGMAR1RXFP1REN
SCHEMBL24016846 0.81 LMNA (0.96) LMNACYP1A2CYP2C9CYP2C19HTT
SCHEMBL5354871 0.81 HPGD (0.73) LMNAHRH4HTTALDH1A1KDM4E
SCHEMBL4468180 0.81 RXFP1 (0.66) LMNACYP2C9CYP2C19HTTALDH1A1
SCHEMBL8569059 0.80 SIGMAR1 (0.58) LMNAHRH4SIGMAR1RXFP1HPGD
Hydrochloric Acid SCHEMBL4460573 0.79 RXFP1 (0.64) LMNACYP2C9CYP2C19HTTALDH1A1
SCHEMBL14934439 0.79 LMNA (0.56) LMNACYP1A2CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3322706-B1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2020-11-11 EP disclosed
WO-2018136661-A1 SUBSTITUTED PYRAZOLO[1,5-a]PYRAZINE COMPOUNDS AS RET KINASE INHIBITORS ANDREWS STEVEN W (US) 2018-07-26 WO disclosed
EP-3042895-A1 PYRIDAZINE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS Xenon Pharmaceuticals Inc. (CA) 2016-07-13 EP disclosed
EP-2316827-B1 Piperazine derivatives and their use as therapeutic agents XENON PHARMACEUTICALS INC (CA) 2016-01-27 EP disclosed
EP-1648874-B1 PIPERAZINE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC (CA) 2011-10-05 EP disclosed
US-7964591-B2 Pyridazine derivatives and their use as therapeutic agents NOVARTIS PHARMA AG (CH) 2011-06-21 US disclosed
EP-2316827-A1 Piperazine derivatives and their use as therapeutic agents Xenon Pharmaceuticals Inc. (CA) 2011-05-04 EP disclosed
US-20110021530-A1 PYRIDAZINE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS IN THE TREATMENT OF SKIN DISORDERS XENON PHARMACEUTICALS INC. (CA) 2011-01-27 US disclosed
EP-1943243-B1 KINASE INHIBITORS LILLY CO ELI (US) 2010-12-29 EP disclosed
US-20100311763-A1 PYRIDAZINE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS NOVARTIS PHARMA AG (US) 2010-12-09 US disclosed
US-6306857-B1 INHIBITION OF ABNORMALLY PHOSPHORYLATED MOLECULAR GERIATRICS CORPORATION 2001-10-23 US disclosed
US-20010025105-A1 Certain substituted 1-aryl-3-piperazine-1'-yl propanones MOLECULAR GERIATARICS CORPORATION 2001-09-27 US disclosed
US-6214994-B1 TREATMENT OF NEOPLASTIC DISEASES, BACTERIAL OR FUNGAL INFECTIONS, AND PREVENTING OR DECREASING PRODUCTION OF PHOSPHORYLATED PAIRED HELICAL FILAMENT (PHF) EPITOPES ASSOCIATED WITH ALZHEIMER'S DISEASE MOLECULAR GERIATRICS CORPORATION 2001-04-10 US disclosed
US-6075026-A Certain substituted 1-aryl-3-piperazin-1'-yl propanones MOLECULAR GERIATRICS, CORP. (US) 2000-06-13 US disclosed
US-5693804-A USEFUL IN TREATING NEOPLASTIC DISEASES, BACTERIAL OR FUNGAL INFECTIONS AND ALZHEIMER'S DISEASE MOLECULAR GERIATRICS CORPORATION (US) 1997-12-02 US disclosed
EP-0792269-A2 CERTAIN SUBSTITUTED 1-ARYL-3-PIPERAZIN-1'-YL PROPANONES MOLECULAR GERIATRICS CORPORATION (US) 1997-09-03 EP disclosed
US-5658909-A INHIBITION OF ABNORMALLY PHOSPHORYLATED PAIRED HELICAL FILAMENT EPITOPE FORMATION MOLECULAR GERIATRICS CORPORATION (US) 1997-08-19 US disclosed
WO-1996015792-A9 METHODS FOR TREATING OR PREVENTING ALZHEIMER'S DISEASE USING SUBSTITUTED 1-ARYL-3-PIPERAZIN-1'-YL PROPANONES 1996-09-12 WO disclosed
WO-1996016052-A2 CERTAIN SUBSTITUTED 1-ARYL-3-PIPERAZIN-1'-YL PROPANONES MOLECULAR GERIATRICS CORPORATION (US) 1996-05-30 WO disclosed
WO-1996015792-A1 METHODS FOR TREATING OR PREVENTING ALZHEIMER'S DISEASE USING SUBSTITUTED 1-ARYL-3-PIPERAZIN-1'-YL PROPANONES MOLECULAR GERIATRICS CORPORATION (US) 1996-05-30 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 (3 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-20110021530-A1 PYRIDAZINE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS IN THE TREATMENT OF SKIN DISORDERS PRXL2A, CUTA, MC1R LMNA 176/4885CYP1A2 415/4885CYP2C9 270/4885
US-20100311763-A1 PYRIDAZINE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS MC1R, CASP9, PRDX5 LMNA 76/4885CYP1A2 763/4885CYP2C9 201/4885
US-20010025105-A1 Certain substituted 1-aryl-3-piperazine-1'-yl propanones PSEN1, PSEN2, PRNP LMNA 2902/4885CYP1A2 4232/4885CYP2C9 4873/4885

“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.