SCHEMBL6279944

SCHEMBL6279944

Cc1ccn2c(NC(C)(C)CC(C)(C)C)c(-c3c4ccccc4cc4ccccc34)nc2n1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.43
CREBBP Q92793 4/20 0.38
BRD4 O60885 2/20 0.38
SALL4 Q9UJQ4 2/20 0.38
TRIM24 O15164 1/20 0.38
TRIM33 Q9UPN9 1/20 0.38
POLB P06746 2/20 0.37
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.37
PARP1 P09874 1/20 0.34
GAA P10253 1/20 0.34
GFER P55789 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
KMT2A Q03164 1/20 0.34
EGFR P00533 1/20 0.33
AKT1 P31749 1/20 0.30
AKT2 P31751 1/20 0.30

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
SCHEMBL5167392 0.77 GAA (0.43) IDO1CREBBPBRD4POLBTP53
Hydrochloric Acid SCHEMBL5168041 0.76 GAA (0.43) IDO1CREBBPBRD4POLBTP53
SCHEMBL5167461 0.76 IDO1 (0.46) IDO1POLBTP53MAPTGAA
SCHEMBL5166622 0.69 GAA (0.47) IDO1CREBBPBRD4POLBTP53
SCHEMBL5166871 0.64 ALDH1A1 (0.50) IDO1CREBBPBRD4POLBTP53
SCHEMBL5169118 0.64 GAA (0.46) IDO1CREBBPBRD4POLBTP53
SCHEMBL6285662 0.64 CREBBP (0.47) IDO1CREBBPBRD4POLBTP53
SCHEMBL6642620 0.64 SALL4 (0.76) BRD4SALL4TRIM24TRIM33GAA
SCHEMBL5168027 0.63 MAPT (0.48) IDO1CREBBPBRD4POLBTP53
SCHEMBL17113960 0.63 IDO1 (0.56) IDO1CREBBPBRD4POLBTP53

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
EP-1218380-B1 BICYCLIC IMIDAZO-3-YL-AMINE DERIVATIVES WHICH ARE SUBSTITUTED ON THE SIXTH RING GRUENENTHAL GMBH (DE) 2003-12-17 EP claimed
JP-2003517466-A 2003-05-27 JP claimed
US-20020183327-A1 Bicyclic imidazo-3-yl-amine derivatives substituted on the 6-membered ring GRUENENTHAL GMBH. 2002-12-05 US claimed
EP-1218380-A2 BICYCLIC IMIDAZO-3-YL-AMINE DERIVATIVES WHICH ARE SUBSTITUTED ON THE SIXTH RING Grünenthal GmbH (DE) 2002-07-03 EP claimed
WO-2001027110-A2 BICYCLIC IMIDAZO-3-YL-AMINE DERIVATIVES WHICH ARE SUBSTITUTED ON THE SIXTH RING Grünenthal GmbH (DE) 2001-04-19 WO claimed
US-6849642-B2 Bicyclic imidazo-3-yl-amine derivatives substituted on the 6-membered ring GRUENENTHAL GMBH (DE) 2005-02-01 US disclosed
EP-1218380-B1 BICYCLIC IMIDAZO-3-YL-AMINE DERIVATIVES WHICH ARE SUBSTITUTED ON THE SIXTH RING GRUENENTHAL GMBH (DE) 2003-12-17 EP disclosed
US-20020183327-A1 Bicyclic imidazo-3-yl-amine derivatives substituted on the 6-membered ring GRUENENTHAL GMBH. 2002-12-05 US disclosed
EP-1218380-A2 BICYCLIC IMIDAZO-3-YL-AMINE DERIVATIVES WHICH ARE SUBSTITUTED ON THE SIXTH RING Grünenthal GmbH (DE) 2002-07-03 EP disclosed
WO-2001027110-A2 BICYCLIC IMIDAZO-3-YL-AMINE DERIVATIVES WHICH ARE SUBSTITUTED ON THE SIXTH RING 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-20020183327-A1 Bicyclic imidazo-3-yl-amine derivatives substituted on the 6-membered ring OPRK1, GRIN3A, OPRM1 IDO1 209/4885CREBBP 1665/4885BRD4 71/4885

“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.