SCHEMBL4798282

SCHEMBL4798282

CC(=O)n1cccc1C(=O)C(Cl)(Cl)Cl.c1cc2ccc1-2

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 3/20 0.36
KMT2A Q03164 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
MAPT P10636 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
NPC1 O15118 1/20 0.30
RAB9A P51151 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
SCHEMBL6249307 0.76 MAPT (0.38) NOTUMMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL5004908 0.75 NOTUM (0.44) NOTUMSMN1; SMN2NPC1RAB9A
SCHEMBL4379296 0.74 POLB (0.43) NOTUMKMT2AMAPTSMN1; SMN2NPC1
SCHEMBL5398794 0.72 KMT2A (0.42) NOTUMKMT2AMAPTSMN1; SMN2
SCHEMBL1149224 0.72 TSHR (0.43) KMT2AMAPTSMN1; SMN2
SCHEMBL1518200 0.72 RAB9A (0.47) KMT2AMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL30034979 0.72 NOTUM (0.41) NOTUMMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL28275487 0.72 KMT2A (0.36) KMT2AMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL19500072 0.69 KDM4E (0.41) NOTUMKMT2AMAPTSMN1; SMN2NPC1
SCHEMBL21572924 0.67

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7345054-B2 Heterocyclic inhibitors of ERK2 and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-03-18 US disclosed
US-7304061-B2 Heterocyclic inhibitors of ERK2 and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-12-04 US disclosed
US-7056944-B2 Pyrazole compositions useful as inhibitors of erk VERTEX PHARMACEUTICALS INCORPORATED (US) 2006-06-06 US disclosed
US-6994868-B2 Compositions useful as inhibitors of ERK VERTEX PHARMACEUTICALS INCORPORATED (US) 2006-02-07 US disclosed
US-20050234059-A1 Heterocyclic inhibitors of ERK2 and uses thereof VERTEX PHARMACEUTICALS INCORPORATED 2005-10-20 US disclosed
US-6849267-B2 Compositions useful as inhibitors of ERK VERTEX PHARMACEUTICALS INCORPORATED (US) 2005-02-01 US disclosed
US-6743791-B2 ANTICANCER AGENTS; ANTIINFLAMMATORY AGENTS VERTEX PHARMACEUTICALS INCORPORATED 2004-06-01 US disclosed
US-20040102506-A1 Pyrazole compositions useful as inhibitors of ERK VERTEX PHARMACEUTICALS INCORPORATED 2004-05-27 US disclosed
US-20040048861-A1 Compositions useful as inhibitors of ERK VERTEX PHARMACEUTICALS INCORPORATED 2004-03-11 US disclosed
US-6699865-B2 PROTEIN KINASE INHIBITORS, FOR TREATING CANCER INFLAMMATORY DISORDERS, RESTENOSIS, AND CARDIOVASCULAR DISEASE. VERTEX PHARMACEUTICALS INCORPORATED 2004-03-02 US disclosed
US-20030225151-A1 Pyrazole compositions useful as inhibitors of ERK VERTEX PHARMACEUTICALS INCORPORATED 2003-12-04 US disclosed
US-6593357-B1 Treating disease states in mammals that are alleviated by a protein kinase inhibitor, particularly diseases such as cancer, inflammatory disorders, restenosis, and cardiovascular disease. VERTEX PHARMACEUTICALS INCORPORATED 2003-07-15 US disclosed
US-20030092714-A1 Heterocyclic inhibitors of ERK2 and uses thereof VERTEX PHARMACEUTICALS INCORPORATED 2003-05-15 US disclosed
US-20030049820-A1 Compositions useful as inhibitors of ERK VERTEX PHARMACEUTICALS INCORPORATED 2003-03-13 US disclosed
US-6528509-B1 Useful for treating disease states in mammals that are alleviated by a protein kinase inhibitor, particularly diseases such as cancer, inflammatory disorders, restenosis, and cardiovascular disease VERTEX PHARMACUTICALS, INCORPORATED 2003-03-04 US disclosed
US-20030040536-A1 Pyrazole compositions useful as inhibitors of ERK VERTEX PHARMACEUTICALS INCORPORATED 2003-02-27 US disclosed
EP-1207864-A2 COMPOSITIONS USEFUL AS INHIBITORS OF ERK VERTEX PHARMACEUTICALS INCORPORATED (US) 2002-05-29 EP disclosed
EP-1200422-A2 PYRAZOLE COMPOSITIONS USEFUL AS INHIBITORS OF ERK Vertex Pharmaceuticals Incorporated (US) 2002-05-02 EP disclosed
WO-2001057022-A2 PYRAZOLE COMPOSITIONS USEFUL AS INHIBITORS OF ERK VERTEX PHARMACEUTICALS INCORPORATED (US) 2001-08-09 WO disclosed
WO-2001056557-A2 COMPOSITIONS USEFUL AS INHIBITORS OF ERK VERTEX PHARMACEUTICALS INCORPORATED (US) 2001-08-09 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 (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-20030040536-A1 Pyrazole compositions useful as inhibitors of ERK MAPK1, MAPK4, MAPK3 NOTUM 4206/4885KMT2A 4112/4885HRH3 1866/4885
US-20030049820-A1 Compositions useful as inhibitors of ERK GRPR, HSPD1, HSPA5 NOTUM 4133/4885KMT2A 4769/4885HRH3 121/4885
US-20050234059-A1 Heterocyclic inhibitors of ERK2 and uses thereof CDK2, MAPK3, CDK1 NOTUM 4276/4885KMT2A 1167/4885HRH3 815/4885
US-20040048861-A1 Compositions useful as inhibitors of ERK GRPR, HSPD1, HSPA5 NOTUM 4133/4885KMT2A 4769/4885HRH3 121/4885
US-20040102506-A1 Pyrazole compositions useful as inhibitors of ERK MAPK1, MAPK4, MAPK3 NOTUM 4206/4885KMT2A 4112/4885HRH3 1866/4885
US-20030225151-A1 Pyrazole compositions useful as inhibitors of ERK MAPK1, MAPK4, MAPK3 NOTUM 4206/4885KMT2A 4112/4885HRH3 1866/4885
US-20030092714-A1 Heterocyclic inhibitors of ERK2 and uses thereof MAPK1, MAPK3, MAP2K2 NOTUM 3906/4885KMT2A 1648/4885HRH3 1830/4885

“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.