SCHEMBL6654641

SCHEMBL6654641

Cc1cc(C)n2c(NC(C)(C)C)c(-c3cccc(O)c3)nc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 2/20 0.49
MAPT P10636 6/20 0.45
GAA P10253 5/20 0.45
TP53 P04637 4/20 0.43
TRPA1 O75762 8/20 0.43
ADRA1B P35368 1/20 0.41
TUBB4A P04350 1/20 0.40
TUBB P07437 1/20 0.40
TUBA3C P0DPH7 1/20 0.40
TUBA1B P68363 1/20 0.40
TUBA4A P68366 1/20 0.40
TUBB4B P68371 1/20 0.40
TUBB3 Q13509 1/20 0.40
TUBB2A Q13885 1/20 0.40
TUBB8 Q3ZCM7 1/20 0.40
TUBA3E Q6PEY2 1/20 0.40
TUBA1A Q71U36 1/20 0.40
TUBA1C Q9BQE3 1/20 0.40
TUBB6 Q9BUF5 1/20 0.40
TUBB2B Q9BVA1 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
SCHEMBL7011739 0.92 GAA (0.52) CREBBPMAPTGAATP53TRPA1
SCHEMBL7016305 0.89 CREBBP (0.41) CREBBPMAPTGAATP53TRPA1
SCHEMBL5168350 0.88 CREBBP (0.66) CREBBPMAPTGAATP53TRPA1
SCHEMBL6651479 0.86 CREBBP (0.57) CREBBPMAPTGAATP53TRPA1
SCHEMBL5166516 0.83 MAPT (0.61) MAPTGAATP53TUBB4ATUBB
SCHEMBL7015470 0.81 MAPT (0.48) MAPTGAATP53TRPA1ADRA1B
SCHEMBL6649635 0.81 GAA (0.60) MAPTGAATP53TRPA1ADRA1B
SCHEMBL5166815 0.81 MAPT (0.48) CREBBPMAPTGAATP53TUBB4A
SCHEMBL6652419 0.76 GAA (0.51) CREBBPMAPTGAATP53MEN1
SCHEMBL6643374 0.76 ADRA1B (0.74) MAPTTRPA1ADRA1BTUBB4ATUBB

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-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 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
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 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

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 CREBBP 1133/4885MAPT 143/4885GAA 4508/4885
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 CREBBP 1065/4885MAPT 203/4885GAA 536/4885

“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.