SCHEMBL6651479

SCHEMBL6651479

Cc1cc(C)n2c(NC(C)(C)C)c(-c3ccccc3)nc2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 2/20 0.57
ADRA1B P35368 1/20 0.56
TOP2A P11388 2/20 0.48
TP53 P04637 2/20 0.48
PKM P14618 2/20 0.48
PKLR P30613 2/20 0.48
GAA P10253 3/20 0.47
MAPT P10636 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
IDO1 P14902 2/20 0.46
BRD4 O60885 2/20 0.44
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
GFER P55789 1/20 0.42
TRPA1 O75762 2/20 0.41
BACE1 P56817 1/20 0.41
HDAC4 P56524 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40

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
SCHEMBL6654641 0.86 CREBBP (0.49) CREBBPADRA1BTP53PKMPKLR
SCHEMBL5169235 0.86 CREBBP (0.76) CREBBPADRA1BTOP2ATP53PKM
SCHEMBL6652419 0.81 GAA (0.51) CREBBPTP53PKMGAAMAPT
Hydrochloric Acid SCHEMBL6649161 0.80 GAA (0.50) CREBBPTP53PKMGAAMAPT
SCHEMBL7011739 0.79 GAA (0.52) CREBBPADRA1BTP53PKMPKLR
SCHEMBL6648128 0.78 ADRA1B (0.71) ADRA1BTOP2ATP53PKMPKLR
SCHEMBL6651992 0.78 GAA (0.44) CREBBPADRA1BGAASMN1; SMN2BRD4
SCHEMBL5167598 0.78 CREBBP (0.46) CREBBPTP53PKMPKLRGAA
Hydrochloric Acid SCHEMBL6649662 0.77 ADRA1B (0.69) ADRA1BTOP2ATP53PKMPKLR
SCHEMBL5166834 0.77 CREBBP (0.81) CREBBPTP53PKMPKLRGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
WO-2001027119-A2 SUBSTANCE LIBRARY CONTAINING BICYCLIC IMIDAZO-5-YL-AMINES AND/OR BICYCLIC IMIDAZO-3-YL-AMINES Grünenthal GmbH (DE) 2001-04-19 WO 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-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-1326613-A1 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 Grünenthal GmbH (DE) 2003-07-16 EP 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
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-2002030428-A1 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 Grünenthal GmbH (DE) 2002-04-18 WO 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
WO-2001027119-A2 SUBSTANCE LIBRARY CONTAINING BICYCLIC IMIDAZO-5-YL-AMINES AND/OR BICYCLIC IMIDAZO-3-YL-AMINES 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 (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-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 CREBBP 1065/4885ADRA1B 486/4885TOP2A 312/4885

“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.