SCHEMBL2145170

SCHEMBL2145170

CCOC(=O)c1ncn(Cc2ccccc2)c1OC

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 4/20 0.53
TSHR P16473 2/20 0.50
GAA P10253 1/20 0.50
PKM P14618 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.49
RECQL P46063 1/20 0.49
MAPK10 P53779 1/20 0.49
ALDH1A1 P00352 2/20 0.47
LMNA P02545 1/20 0.47
EED O75530 1/20 0.47
MAPK1 P28482 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
MAPT P10636 1/20 0.45
KDM4E B2RXH2 1/20 0.45
POLB P06746 1/20 0.44
CRHBP P24387 1/20 0.44
CRHR2 Q13324 1/20 0.44
F2RL3 Q96RI0 1/20 0.44

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
SCHEMBL4958152 0.85 TSHR (0.54) CYP19A1TSHRGAAPKMSMN1; SMN2
SCHEMBL2146048 0.85 PKM (0.64) TSHRGAAPKMSMN1; SMN2
SCHEMBL2145110 0.84 TSHR (0.52) CYP19A1TSHRGAAPKMSMN1; SMN2
SCHEMBL1753177 0.83 MAPK1 (0.55) CYP19A1TSHRGAAPKMSMN1; SMN2
SCHEMBL2146040 0.80 RECQL (0.42) TSHRGAAPKMSMN1; SMN2RECQL
SCHEMBL11213556 0.77 SMN1; SMN2 (0.55) CYP19A1TSHRGAAPKMSMN1; SMN2
SCHEMBL17456271 0.75 SMN1; SMN2 (0.53) CYP19A1TSHRGAAPKMSMN1; SMN2
SCHEMBL1753091 0.75 SMN1; SMN2 (0.53) CYP19A1TSHRGAAPKMSMN1; SMN2
SCHEMBL20477328 0.75 CYP19A1 (0.55) CYP19A1TSHRSMN1; SMN2ALDH1A1LMNA
SCHEMBL7086563 0.75 CYP19A1 (0.43) CYP19A1TSHRGAAPKMSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2040702-B1 USE OF AMPK-ACTIVATING IMIDAZOLE DERIVATIVES, PREPARATION PROCESS THEREFOR AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM MERCK PATENT GMBH (DE) 2011-07-27 EP claimed
US-20090253764-A1 USE OF AMPK-ACTIVATING IMIDAZOLE DERIVATIVES, PREPARATION PROCESS THEREFOR AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM MERCK PATENT GESELLSCHAFT (DE) 2009-10-08 US claimed
US-8329738-B2 Use of AMPK-activating imidazole derivatives, preparation process therefor and pharmaceutical compositions comprising them MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 2012-12-11 US disclosed
EP-2040702-B1 USE OF AMPK-ACTIVATING IMIDAZOLE DERIVATIVES, PREPARATION PROCESS THEREFOR AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM MERCK PATENT GMBH (DE) 2011-07-27 EP disclosed
US-20090253764-A1 USE OF AMPK-ACTIVATING IMIDAZOLE DERIVATIVES, PREPARATION PROCESS THEREFOR AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM MERCK PATENT GESELLSCHAFT (DE) 2009-10-08 US disclosed
EP-2040702-A1 USE OF AMPK-ACTIVATING IMIDAZOLE DERIVATIVES, PREPARATION PROCESS THEREFOR AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM Merck Patent GmbH (DE) 2009-04-01 EP disclosed
WO-2008006432-A1 USE OF AMPK-ACTIVATING IMIDAZOLE DERIVATIVES, PREPARATION PROCESS THEREFOR AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM MERCK PATENT GMBH (DE) 2008-01-17 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-20090253764-A1 USE OF AMPK-ACTIVATING IMIDAZOLE DERIVATIVES, PREPARATION PROCESS THEREFOR AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM PRKAG1, PRKAB1, PRKAG2 CYP19A1 527/4885TSHR 2382/4885GAA 841/4885

“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.