SCHEMBL4055653

SCHEMBL4055653

CCOC(=O)c1ccc(-n2nc(-c3ccccc3)cc2NC(=O)Nc2ccc(Cl)cc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.67
GRM5 P41594 4/20 0.59
KCNJ6 P48051 3/20 0.56
KCNJ3 P48549 3/20 0.56
KCNJ5 P48544 2/20 0.56
P2RY12 Q9H244 1/20 0.56
MAPT P10636 3/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
MAPK13 O15264 1/20 0.54
MAPK12 P53778 1/20 0.54
MAPK11 Q15759 1/20 0.54
MAPK14 Q16539 1/20 0.54
TRPV1 Q8NER1 1/20 0.53
POLB P06746 1/20 0.52
CCNA2 P20248 1/20 0.52
CDK2 P24941 1/20 0.52

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
SCHEMBL4050389 0.86 P2RY12 (0.61) KCNJ6KCNJ3KCNJ5P2RY12MAPT
SCHEMBL2084052 0.84 KCNJ6 (0.59) KCNJ6KCNJ3KCNJ5P2RY12MAPT
SCHEMBL4306357 0.82 PTPN1 (0.74) PTPN1GRM5KCNJ6KCNJ3KCNJ5
SCHEMBL2080486 0.82 MAPK14 (0.58) KCNJ6KCNJ3KCNJ5P2RY12MAPT
SCHEMBL16317149 0.81 P2RY12 (0.56) KCNJ6KCNJ3KCNJ5P2RY12MAPT
SCHEMBL4049398 0.81 PTPN1 (0.60) PTPN1GRM5KCNJ6KCNJ3KCNJ5
SCHEMBL13576977 0.79 PTPN1 (0.72) PTPN1GRM5KCNJ6KCNJ3KCNJ5
SCHEMBL14133258 0.77 PTPN1 (0.83) PTPN1GRM5KCNJ6KCNJ3KCNJ5
SCHEMBL4111911 0.77 TRPV1 (0.75) MAPTSMN1; SMN2TRPV1
SCHEMBL2082551 0.76 SMN1; SMN2 (0.58) MAPTSMN1; SMN2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090312349-A1 ANTI-INFLAMMATORY MEDICAMENTS DECIPHERA PHARMACEUTICALS, LLC 2009-12-17 US disclosed
US-20090312349-A1 ANTI-INFLAMMATORY MEDICAMENTS DECIPHERA PHARMACEUTICALS, LLC 2009-12-17 US disclosed
US-20090312349-A1 ANTI-INFLAMMATORY MEDICAMENTS DECIPHERA PHARMACEUTICALS, LLC 2009-12-17 US disclosed
EP-1836173-A4 ANTI-INFLAMMATORY MEDICAMENTS DECIPHERA PHARMACEUTICALS LLC (US) 2009-07-08 EP disclosed
EP-1836173-A2 ANTI-INFLAMMATORY MEDICAMENTS Deciphera Pharmaceuticals, LLC (US) 2007-09-26 EP disclosed
US-20070191336-A1 p38 kinase inhibitors DECIPHERA PHARMACEUTICALS, LLC 2007-08-16 US disclosed
US-20070191336-A1 p38 kinase inhibitors DECIPHERA PHARMACEUTICALS, LLC 2007-08-16 US disclosed
US-20070191336-A1 p38 kinase inhibitors DECIPHERA PHARMACEUTICALS, LLC 2007-08-16 US disclosed
WO-2006081034-A2 ANTI-INFLAMMATORY MEDICAMENTS DECIPHERA PHARMACEUTICALS, LLC (US) 2006-08-03 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 (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-20090312349-A1 ANTI-INFLAMMATORY MEDICAMENTS ABL2, ABL1, PTK2 PTPN1 292/4885GRM5 1829/4885KCNJ6 4281/4885
US-20070191336-A1 p38 kinase inhibitors MAPK1, MAP3K8, MAP3K1 PTPN1 1275/4885GRM5 1190/4885KCNJ6 2415/4885

“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.