SCHEMBL1136835

SCHEMBL1136835

O=C=NC(=O)Cc1ccc(F)cc1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTBP2 P56545 1/20 0.49
GAA P10253 2/20 0.46
TDP1 Q9NUW8 2/20 0.42
POLB P06746 2/20 0.42
APEX1 P27695 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
ALDH1A1 P00352 1/20 0.41
RAB9A P51151 1/20 0.41
EGFR P00533 1/20 0.41
ERBB2 P04626 1/20 0.41
MET P08581 2/20 0.40
LMNA P02545 2/20 0.40
HTT P42858 2/20 0.40
KMT2A Q03164 1/20 0.40
KDM4E B2RXH2 1/20 0.40
FFAR1 O14842 1/20 0.39

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
SCHEMBL105873 0.83 MIF (0.48) CTBP2GAATDP1POLBAPEX1
SCHEMBL1356144 0.82 CA2 (0.52) CTBP2RAB9AMETLMNA
SCHEMBL1357419 0.80 CES1 (0.52) CTBP2GAAALDH1A1METLMNA
SCHEMBL10633569 0.78 LMNA (0.58) GAAALDH1A1LMNAHTTKMT2A
Acetonitrile SCHEMBL4322763 0.76 MIF (0.42) CTBP2GAATDP1POLBAPEX1
SCHEMBL18904253 0.76 CTBP2 (0.52) CTBP2GAATDP1POLBAPEX1
SCHEMBL171511 0.76 CTBP2 (0.52) CTBP2GAATDP1POLBAPEX1
Toluene SCHEMBL4327028 0.73 SMN1; SMN2 (0.44) CTBP2GAATDP1POLBAPEX1
SCHEMBL1132185 0.73 CTBP2 (0.45) CTBP2GAATDP1POLBAPEX1
SCHEMBL526194 0.72 GAA (0.57) CTBP2GAATDP1POLBAPEX1

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 74 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2365752-B1 CYCLOPROPANE AMIDES AND ANALOGS EXHIBITING ANTI-CANCER AND ANTI-PROLIFERATIVE ACTIVITIES DECIPHERA PHARMACEUTICALS LLC (US) 2014-09-24 EP disclosed
EP-2365752-B1 CYCLOPROPANE AMIDES AND ANALOGS EXHIBITING ANTI-CANCER AND ANTI-PROLIFERATIVE ACTIVITIES DECIPHERA PHARMACEUTICALS LLC (US) 2014-09-24 EP disclosed
US-8486951-B2 Cyclopropane amides and analogs exhibiting anti-cancer and anti-proliferative activities DECIPHERA PHARMACEUTICALS, LLC (US) 2013-07-16 US disclosed
US-8486951-B2 Cyclopropane amides and analogs exhibiting anti-cancer and anti-proliferative activities DECIPHERA PHARMACEUTICALS, LLC (US) 2013-07-16 US disclosed
US-8486951-B2 Cyclopropane amides and analogs exhibiting anti-cancer and anti-proliferative activities DECIPHERA PHARMACEUTICALS, LLC (US) 2013-07-16 US disclosed
US-20130079362-A1 CYCLOPROPANE AMIDES AND ANALOGS EXHIBITING ANTI-CANCER AND ANTI-PROLIFERATIVE ACTIVITIES DECIPHERA PHARMACEUTICALS, LLC (US) 2013-03-28 US disclosed
US-20130079362-A1 CYCLOPROPANE AMIDES AND ANALOGS EXHIBITING ANTI-CANCER AND ANTI-PROLIFERATIVE ACTIVITIES DECIPHERA PHARMACEUTICALS, LLC (US) 2013-03-28 US disclosed
US-20130079362-A1 CYCLOPROPANE AMIDES AND ANALOGS EXHIBITING ANTI-CANCER AND ANTI-PROLIFERATIVE ACTIVITIES DECIPHERA PHARMACEUTICALS, LLC (US) 2013-03-28 US disclosed
US-8278331-B2 N-acyl ureas exhibiting anti-cancer and anti-proliferative activities DECIPHERA PHARMACEUTICALS, LLC (US) 2012-10-02 US disclosed
US-8278331-B2 N-acyl ureas exhibiting anti-cancer and anti-proliferative activities DECIPHERA PHARMACEUTICALS, LLC (US) 2012-10-02 US disclosed
WO-2006004884-A2 PROCESSES AND INTERMEDIATES USEFUL FOR PREPARING FUSED HETEROCYCLIC KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2006-01-12 WO disclosed
WO-2006004636-A2 FUSED HETEROCYCLIC KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2006-01-12 WO disclosed
US-20060004006-A1 Pyrrolotriazine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2006-01-05 US disclosed
US-20050288290-A1 Fused heterocyclic kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2005-12-29 US disclosed
US-20050288289-A1 Processes and intermediates useful for preparing fused heterocyclic kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2005-12-29 US disclosed
WO-2005117867-A2 MONOCYCLIC HETEROCYCLES AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-12-15 WO disclosed
US-20050277652-A1 Novel pyridine derivative and pyrimidine derivative EISAI CO., LTD. (JP) 2005-12-15 US disclosed
WO-2005116028-A2 BICYCLIC HETEROCYCLES AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-12-08 WO disclosed
US-20050245530-A1 Monocyclic heterocycles as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2005-11-03 US disclosed
US-20050239820-A1 Bicyclic heterocycles as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2005-10-27 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 (7 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-20050288290-A1 Fused heterocyclic kinase inhibitors MAP3K20, MAP3K19, ABL1 CTBP2 4029/4885GAA 1488/4885TDP1 1391/4885
US-20130079362-A1 CYCLOPROPANE AMIDES AND ANALOGS EXHIBITING ANTI-CANCER AND ANTI-PROLIFERATIVE ACTIVITIES KIT, PDGFRA, PDGFRB CTBP2 4239/4885GAA 3101/4885TDP1 2599/4885
US-20050288289-A1 Processes and intermediates useful for preparing fused heterocyclic kinase inhibitors MAP3K15, MAP4K2, MAP3K20 CTBP2 1768/4885GAA 3388/4885TDP1 1687/4885
US-20050277652-A1 Novel pyridine derivative and pyrimidine derivative HGF, MET, HDGF CTBP2 3416/4885GAA 4724/4885TDP1 4842/4885
US-20060004006-A1 Pyrrolotriazine kinase inhibitors MAP3K5, MAP3K15, MAP4K2 CTBP2 3066/4885GAA 2824/4885TDP1 1195/4885
US-20050239820-A1 Bicyclic heterocycles as kinase inhibitors CDK2, ABL1, CDKN1A CTBP2 3868/4885GAA 2591/4885TDP1 2274/4885
US-20050245530-A1 Monocyclic heterocycles as kinase inhibitors CDK2, MAP3K19, CDK1 CTBP2 3951/4885GAA 3521/4885TDP1 3291/4885

“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.