Sugi Predict

Sugi Predict / Compounds / SCHEMBL3976417

SCHEMBL3976417

SCHEMBL3976417

CCCNn1ccc2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 7/20 0.45
▸ CDK4 P11802 4/20 0.42
▸ CCND1 P24385 4/20 0.42
▸ SLC6A4 P31645 3/20 0.42
▸ MAPK1 P28482 2/20 0.41
▸ HTT P42858 1/20 0.41
▸ DRD2 P14416 1/20 0.39
▸ HTR2A P28223 1/20 0.39
▸ HTR2C P28335 1/20 0.39
▸ NOTUM Q6P988 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38

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
SCHEMBL1465952 0.88 CYP4Z1 (0.47) SLC6A2CDK4CCND1SLC6A4MAPK1
SCHEMBL6623448 0.86 SLC6A2 (0.49) SLC6A2CDK4CCND1SLC6A4MAPK1
Hydrochloric Acid SCHEMBL6258187 0.85 SLC6A2 (0.47) SLC6A2CDK4CCND1SLC6A4MAPK1
SCHEMBL8349900 0.81 TSHR (0.48) SLC6A2CDK4CCND1SLC6A4MAPK1
SCHEMBL8836496 0.75 LMNA (0.56) SLC6A2CDK4CCND1MAPK1NOTUM
SCHEMBL5260584 0.75 SLC6A2 (0.41) SLC6A2CDK4CCND1SLC6A4MAPK1
SCHEMBL3551342 0.74 SLC6A2 (0.52) SLC6A2CDK4CCND1SLC6A4MAPK1
SCHEMBL10975851 0.74 NOTUM (0.50) SLC6A2CDK4CCND1MAPK1HTT
SCHEMBL3393327 0.73 SLC6A2 (0.44) SLC6A2CDK4CCND1SLC6A4MAPK1
SCHEMBL8836249 0.72 LMNA (0.52) CDK4CCND1MAPK1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1678135-B1 PROCESS FOR THE PREPARATION OF N-AMINO SUBSTITUTED HETEROCYCLIC COMPOUNDS AVENTIS PHARMA INC (US) 2009-05-13 — — EP disclosed
US-7112682-B2 Process for the preparation of N-amino substituted heterocyclic compounds AVENTIS PHARMACEUTICALS INC. (US) 2006-09-26 — — US disclosed
EP-1678135-A1 PROCESS FOR THE PREPARATION OF N-AMINO SUBSTITUTED HETEROCYCLIC COMPOUNDS Aventis Pharmaceuticals, Inc. (US) 2006-07-12 — — EP disclosed
US-20050101654-A1 Process for the preparation of N-amino substituted heterocyclic compounds AVENTIS PHARMACEUTICALS INC. (US) 2005-05-12 — — US disclosed
WO-2005035496-A1 PROCESS FOR THE PREPARATION OF N-AMINO SUBSTITUTED HETEROCYCLIC COMPOUNDS AVENTIS PHARMACEUTICALS INC. (US) 2005-04-21 — — WO disclosed
EP-0840609-B1 USE OF UNSUBSTITUTED AND SUBSTITUTED N-(PYRROL-1-YL)PYRIDINAMINES AS ANTICONVULSANT AGENTS AVENTIS PHARMA INC (US) 2002-06-05 — — EP disclosed
EP-0635269-B1 Use of N-(Pyridinyl)-1H-Indol-1-Amines for the preparation of a medicament for the treatment of obsessive-compulsive disorders HOECHST MARION ROUSSEL INC (US) 1999-11-03 — — EP disclosed
US-5776955-A Use of unsubstituted and substituted n-(pyrrol-1-yl)pyridinamines as anticonvulsant agents HOECHST MARION ROUSSEL, INC. 1998-07-07 — — US disclosed
CN-1029968-C Process for preparation of N-heteroaryl-purin-6-amines and their use as medicaments HOECHST ROUSSEL PHARMA (US) 1995-10-11 — — CN disclosed
EP-0402752-B1 N-heteroaryl-purin-6-amines, a process for their preparation and their use as medicaments HOECHST ROUSSEL PHARMA (US) 1995-09-13 — — EP disclosed
US-5155098-A Analgesics, anticonvulsants HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1992-10-13 — — US disclosed
US-5039811-A Analgesics, antidepressants, memory activators; condensation, reduction HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1991-08-13 — — US disclosed
US-5017578-A N-heteroaryl-purin-6-amines useful as analgesic and anticonvulsant agents HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1991-05-21 — — US disclosed
EP-0417584-A2 N-substituted-4-pyrimidinamines and -pyrimidindiamines, a process for their preparation and their use as medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1991-03-20 — — EP disclosed
US-4983608-A Analgesics, cognition activators HOECHST-ROUSSELL PHARMACEUTICALS, INC. (US) 1991-01-08 — — US disclosed
EP-0402752-A1 N-heteroaryl-purin-6-amines, a process for their preparation and their use as medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1990-12-19 — — EP disclosed
CN-1047866-A The preparation method of N-heteroaryl-purine-6-amine and medicinal HOECHST ROUSSEL PHARMA (US) 1990-12-19 — — CN disclosed
EP-0397040-A2 N-heteroaryl-4-quinolinamines, a process for their preparation and their use as medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1990-11-14 — — EP disclosed
US-4970218-A ANALGESIC, ANTIDEPRESSANT, MEMORY ENHANCEMENT HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1990-11-13 — — US disclosed
US-4916135-A ANALGESICS, ALZHEIMER*S HOECHST ROUSSEL PHARMACEUTICALS INC. (US) 1990-04-10 — — 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 (1 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-20050101654-A1 Process for the preparation of N-amino substituted heterocyclic compounds AADAT, KMO, KYNU SLC6A2 675/4885CDK4 734/4885CCND1 826/4885

“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.