SCHEMBL1370903

SCHEMBL1370903

COC(=O)c1sccc1OC(C)c1ccccc1Cl

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.51
ALDH1A1 P00352 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.47
MEN1 O00255 4/20 0.47
POLB P06746 1/20 0.47
CYP1A2 P05177 1/20 0.46
SCN1A P35498 1/20 0.44
SCN5A Q14524 1/20 0.44
SCN8A Q9UQD0 1/20 0.44
OPRM1 P35372 1/20 0.44
RAB9A P51151 2/20 0.43
PLK1 P53350 4/20 0.41
PLK3 Q9H4B4 3/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
CDK2 P24941 1/20 0.41
IKBKE Q14164 1/20 0.41
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 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
SCHEMBL20108162 0.81 KMT2A (0.48) KMT2AMEN1CYP1A2PLK1PLK3
SCHEMBL577918 0.80 PLK1 (0.46) ALDH1A1SCN1ASCN5ASCN8APLK1
SCHEMBL1373718 0.79 PLK1 (0.46) SCN1ASCN5ASCN8APLK1PLK3
SCHEMBL2973598 0.79 PLK1 (0.48) RAB9APLK1PLK3CDK2IKBKE
SCHEMBL577919 0.79 PLK1 (0.46) PLK1PLK3CDK2IKBKEMAPT
SCHEMBL4552924 0.79 PLK1 (0.48) RAB9APLK1PLK3CDK2IKBKE
SCHEMBL8929156 0.78 PLK1 (0.45) PLK1PLK3CDK2IKBKEMAPT
SCHEMBL20505093 0.77 KMT2A (0.61) KMT2AALDH1A1SMN1; SMN2MEN1POLB
SCHEMBL2986978 0.76 ALDH1A1 (0.43) ALDH1A1POLBPLK1PLK3CDK2
Hydrochloric Acid SCHEMBL8194482 0.74 KMT2A (0.57) KMT2AALDH1A1SMN1; SMN2MEN1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8759389-B1 Thiophene-carboxamides useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-06-24 US disclosed
US-8759389-B1 Thiophene-carboxamides useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-06-24 US disclosed
US-8759389-B1 Thiophene-carboxamides useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-06-24 US disclosed
US-8399478-B2 Thiophene-carboxamides useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-03-19 US disclosed
US-8399478-B2 Thiophene-carboxamides useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-03-19 US disclosed
US-8399478-B2 Thiophene-carboxamides useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-03-19 US disclosed
EP-1813613-B1 NOVEL FUSED IMIDAZOLE DERIVATIVE MSD KK (JP) 2012-12-19 EP disclosed
EP-2474546-A1 Thiophene-carboxamides useful as inhibitors of protein kinases Vertex Pharmaceuticals Inc. (US) 2012-07-11 EP disclosed
EP-2474546-A1 Thiophene-carboxamides useful as inhibitors of protein kinases Vertex Pharmaceuticals Inc. (US) 2012-07-11 EP disclosed
EP-1989205-B1 THIOPHENE-CARBOXAMIDES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMA (US) 2012-06-13 EP disclosed
US-7915305-B2 To treat autoimmune, inflammatory, proliferative, hyperproliferative,neurodegenerative or immunologically-mediated diseases; useful for the study of kinases in biological and pathological phenomena; study of intracellular signal transduction pathways mediated by such kinases, and comparative evaluation VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-03-29 US disclosed
US-7915305-B2 To treat autoimmune, inflammatory, proliferative, hyperproliferative,neurodegenerative or immunologically-mediated diseases; useful for the study of kinases in biological and pathological phenomena; study of intracellular signal transduction pathways mediated by such kinases, and comparative evaluation VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-03-29 US disclosed
EP-1989205-A2 THIOPHENE-CARBOXAMIDES USEFUL AS INHIBITORS OF PROTEIN KINASES Vertex Pharmceuticals Incorporated (US) 2008-11-12 EP disclosed
US-20080103136-A1 Novel Fused Imidazole Derivative MSD K.K. (JP) 2008-05-01 US disclosed
US-20070219205-A1 Thiophene-carboxamides useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED 2007-09-20 US disclosed
US-20070219205-A1 Thiophene-carboxamides useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED 2007-09-20 US disclosed
US-20070219205-A1 Thiophene-carboxamides useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED 2007-09-20 US disclosed
WO-2007087283-A2 THIOPHENE-CARBOXAMIDES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-08-02 WO disclosed
WO-2007087283-A2 THIOPHENE-CARBOXAMIDES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-08-02 WO disclosed
EP-1813613-A1 NOVEL FUSED IMIDAZOLE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-08-01 EP 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-20070219205-A1 Thiophene-carboxamides useful as inhibitors of protein kinases MAP3K20, ABL1, MAP3K5 KMT2A 784/4885ALDH1A1 4111/4885SMN1; SMN2 2508/4885
US-20080103136-A1 Novel Fused Imidazole Derivative HRH4, H1-4, H1-3 KMT2A 1819/4885ALDH1A1 1939/4885SMN1; SMN2 3733/4885

“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.