SCHEMBL828343

SCHEMBL828343

Cc1ccnc(N(Cc2ccccc2)C(=O)OC(C)(C)C)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.46
GAA P10253 1/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
LMNA P02545 1/20 0.43
TSHR P16473 2/20 0.43
TSPO P30536 1/20 0.42
HDAC3 O15379 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
NCOR2 Q9Y618 1/20 0.42
STAT5B P51692 1/20 0.41
HTT P42858 2/20 0.41
NPC1 O15118 1/20 0.41
JAK2 O60674 1/20 0.41
ALDH1A1 P00352 1/20 0.41
RAB9A P51151 1/20 0.41
PAX8 Q06710 1/20 0.41
MAPT P10636 1/20 0.41

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
SCHEMBL16989216 0.87 TSPO (0.47) POLBSMN1; SMN2GAAMEN1KMT2A
SCHEMBL29075996 0.85 POLB (0.69) POLBSMN1; SMN2GAAMEN1KMT2A
SCHEMBL828561 0.83 NPC1 (0.39) SMN1; SMN2MEN1KMT2ALMNANPC1
SCHEMBL15074514 0.80 SSTR4 (0.39) SMN1; SMN2GAAHDAC1NPC1ALDH1A1
SCHEMBL828100 0.80 F2 (0.40) SMN1; SMN2NPC1RAB9A
SCHEMBL22703137 0.80 TSHR (0.39) SMN1; SMN2TSHRNPC1ALDH1A1RAB9A
SCHEMBL15286418 0.80 CKS1B (0.38) POLBSMN1; SMN2MEN1KMT2AHDAC3
SCHEMBL860084 0.79 SMN1; SMN2 (0.36) SMN1; SMN2MEN1KMT2ALMNANPC1
SCHEMBL828344 0.79 POLB (0.42) POLBMEN1KMT2ALMNATSHR
SCHEMBL17282348 0.79 TSHR (0.39) SMN1; SMN2LMNATSHRNPC1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170313661-A1 KINASE MODULATORS FOR THE TREATMENT OF CANCER SYNOVO GMBH (DE) 2017-11-02 US disclosed
US-20170313661-A1 KINASE MODULATORS FOR THE TREATMENT OF CANCER SYNOVO GMBH (DE) 2017-11-02 US disclosed
US-20170313661-A1 KINASE MODULATORS FOR THE TREATMENT OF CANCER SYNOVO GMBH (DE) 2017-11-02 US disclosed
US-9617221-B2 Kinase modulators for the treatment of cancer SYNOVO GMBH (DE) 2017-04-11 US disclosed
US-9617221-B2 Kinase modulators for the treatment of cancer SYNOVO GMBH (DE) 2017-04-11 US disclosed
US-20130045938-A1 KINASE MODULATORS FOR THE TREATMENT OF CANCER SYNOVO GMBH (DE) 2013-02-21 US disclosed
US-20130045938-A1 KINASE MODULATORS FOR THE TREATMENT OF CANCER SYNOVO GMBH (DE) 2013-02-21 US disclosed
US-8143294-B2 2-sulfanyl-substituted imidazole derivatives and their use as cytokine inhibitors BURNET MICHAEL (DE) 2012-03-27 US disclosed
US-8143294-B2 2-sulfanyl-substituted imidazole derivatives and their use as cytokine inhibitors BURNET MICHAEL (DE) 2012-03-27 US disclosed
US-8143294-B2 2-sulfanyl-substituted imidazole derivatives and their use as cytokine inhibitors BURNET MICHAEL (DE) 2012-03-27 US disclosed
WO-2011100769-A2 KINASE MODULATORS FOR THE TREATMENT OF CANCER SYNOVO GMBH (DE) 2011-08-18 WO disclosed
US-20090270462-A1 2-SULFANYL-SUBSTITUTED IMIDAZOLE DERIVATIVES AND THEIR USE AS CYTOKINE INHIBITORS SYNOVO GMBH (DE) 2009-10-29 US disclosed
US-20090270462-A1 2-SULFANYL-SUBSTITUTED IMIDAZOLE DERIVATIVES AND THEIR USE AS CYTOKINE INHIBITORS SYNOVO GMBH (DE) 2009-10-29 US disclosed
US-20090270462-A1 2-SULFANYL-SUBSTITUTED IMIDAZOLE DERIVATIVES AND THEIR USE AS CYTOKINE INHIBITORS SYNOVO GMBH (DE) 2009-10-29 US disclosed
EP-1140939-B1 SUBSTITUTED 2-ARYL-3-(HETEROARYL)-IMIDAZO[1,2-ALPHA]PYRIMIDINES, AND RELATED PHARMACEUTICAL COMPOSITIONS AND METHODS ORTHO MCNEIL PHARM INC (US) 2005-02-09 EP disclosed
US-6610697-B1 Treating rheumatoid arthritis ORTHO-MCNEIL PHARMACEUTICAL, INC. 2003-08-26 US disclosed
EP-1140939-A1 SUBSTITUTED 2-ARYL-3-(HETEROARYL)-IMIDAZO[1,2-ALPHA]PYRIMIDINES, AND RELATED PHARMACEUTICAL COMPOSITIONS AND METHODS Ortho-Mcneil Pharmaceutical, Inc. (US) 2001-10-10 EP disclosed
WO-2001034605-A1 SUBSTITUTED 2-ARYL-3-(HETEROARYL)-IMIDAZO[1,2-a]PYRIMIDINES, AND RELATED PHARMACEUTICAL COMPOSITIONS AND METHODS ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2001-05-17 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 (3 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-20170313661-A1 KINASE MODULATORS FOR THE TREATMENT OF CANCER MAP3K10, MAP3K12, MAP3K20 POLB 2411/4885SMN1; SMN2 4665/4885GAA 2734/4885
US-20130045938-A1 KINASE MODULATORS FOR THE TREATMENT OF CANCER MAP3K10, MAP3K12, MAP3K20 POLB 2411/4885SMN1; SMN2 4665/4885GAA 2734/4885
US-20090270462-A1 2-SULFANYL-SUBSTITUTED IMIDAZOLE DERIVATIVES AND THEIR USE AS CYTOKINE INHIBITORS IL2, IL2RA, IL1B POLB 3752/4885SMN1; SMN2 4574/4885GAA 3338/4885

“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.