SCHEMBL6651992

SCHEMBL6651992

Cc1cc(C)n2c(NC(C)(C)C)c(C)nc2c1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.44
CREBBP Q92793 2/20 0.43
KMT2A Q03164 2/20 0.42
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.36
GFER P55789 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
ALOX15 P16050 1/20 0.36
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
LMNA P02545 1/20 0.32
TSHR P16473 1/20 0.32
BRD4 O60885 1/20 0.32
ADRA1B P35368 1/20 0.31

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 SCHEMBL6754094 0.98 GAA (0.43) GAACREBBPKMT2AKDM4EALDH1A1
SCHEMBL5169014 0.83 CREBBP (0.62) GAACREBBPKMT2AKDM4EALDH1A1
SCHEMBL6651479 0.78 CREBBP (0.57) GAACREBBPKDM4EALDH1A1GFER
SCHEMBL6651475 0.77 CREBBP (0.40) GAACREBBPKMT2AKDM4EALDH1A1
SCHEMBL6652419 0.75 GAA (0.51) GAACREBBPKMT2AKDM4EALDH1A1
Hydrochloric Acid SCHEMBL6649161 0.74 GAA (0.50) GAACREBBPKMT2AKDM4EALDH1A1
SCHEMBL6654641 0.73 CREBBP (0.49) GAACREBBPKMT2AALDH1A1ADRA1B
SCHEMBL6651873 0.72 GAA (0.64) GAAKMT2AKDM4EALDH1A1GFER
SCHEMBL5169560 0.71 ALDH1A1 (0.61) GAAKMT2AKDM4EALDH1A1GFER
SCHEMBL6651342 0.70 CREBBP (0.44) GAACREBBPKMT2AKDM4EALDH1A1

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6703404-B2 NITRIC OXIDE SYNTHASE INHIBITORS GRUENENTHAL GMBH (DE) 2004-03-09 US claimed
US-20040023972-A1 Use of substituted imidazo[1,2-a]-pyridin-, -pyrimidin-and-pyrazin-3-yl-amine derivatives in the preparation of medicaments for inhibiting NOS GRUENENTHAL GMBH (DE) 2004-02-05 US claimed
EP-1218378-B1 TERT.-BUTYL-(7-METHYL-IMIDAZO[1,2-A]PYRIDINE-3-YL)-AMINE DERIVATIVES GRUENENTHAL GMBH (DE) 2003-04-23 EP claimed
US-20030022914-A1 Tert.-butyl-(7-menthyl-imidazol [1,2-A] pyridin-3-yl)-amine derivatives GRUENENTHAL GMBH . 2003-01-30 US claimed
EP-1326613-B1 USE OF SUBSTITUTED IMIDAZO 1,2-A]PYRIDINE-, IMIDAZO [1,2-A]PYRIMIDINE AND IMIDAZO [1,2-A]PYRAZINE-3-YL-AMINE DERIVATIVES FOR PRODUCING NOS-INHIBITING MEDICAMENTS GRUENENTHAL GMBH (DE) 2004-06-02 EP disclosed
US-6703404-B2 NITRIC OXIDE SYNTHASE INHIBITORS GRUENENTHAL GMBH (DE) 2004-03-09 US disclosed
US-20040023972-A1 Use of substituted imidazo[1,2-a]-pyridin-, -pyrimidin-and-pyrazin-3-yl-amine derivatives in the preparation of medicaments for inhibiting NOS GRUENENTHAL GMBH (DE) 2004-02-05 US disclosed
EP-1218378-B1 TERT.-BUTYL-(7-METHYL-IMIDAZO[1,2-A]PYRIDINE-3-YL)-AMINE DERIVATIVES GRUENENTHAL GMBH (DE) 2003-04-23 EP disclosed
US-20030022914-A1 Tert.-butyl-(7-menthyl-imidazol [1,2-A] pyridin-3-yl)-amine derivatives GRUENENTHAL GMBH . 2003-01-30 US disclosed
EP-1218378-A2 TERT.-BUTYL-(7-METHYL-IMIDAZO[1,2-A]PYRIDINE-3-YL)-AMINE DERIVATIVES Grünenthal GmbH (DE) 2002-07-03 EP disclosed
WO-2001027109-A2 TERT.-BUTYL-(7-METHYL-IMIDAZO[1,2-A]PYRIDINE-3-YL)-AMINE DERIVATIVES Grünenthal GmbH (DE) 2001-04-19 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 (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-20030022914-A1 Tert.-butyl-(7-menthyl-imidazol [1,2-A] pyridin-3-yl)-amine derivatives TERT, BET1, TRPM7 GAA 4508/4885CREBBP 1133/4885KMT2A 766/4885
US-20040023972-A1 Use of substituted imidazo[1,2-a]-pyridin-, -pyrimidin-and-pyrazin-3-yl-amine derivatives in the preparation of medicaments for inhibiting NOS NOS1, PTGIS, NOS2 GAA 536/4885CREBBP 1065/4885KMT2A 2977/4885

“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.