SCHEMBL505964

SCHEMBL505964

O/N=C(\Cl)c1ccc(CCl)cc1

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48
KDM4E B2RXH2 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL505965 1.00 CA1 (0.48) CA1CA2KDM4ESMN1; SMN2
SCHEMBL4196637 0.83 THRA (0.33) CA1CA2KDM4ESMN1; SMN2
SCHEMBL4196635 0.83 THRA (0.33) CA1CA2KDM4ESMN1; SMN2
SCHEMBL11814265 0.83 ALDH1A1 (0.33) SMN1; SMN2
SCHEMBL2298579 0.82 PRSS1 (0.45) CA1CA2KDM4ESMN1; SMN2
SCHEMBL2298580 0.82 PRSS1 (0.45) CA1CA2KDM4ESMN1; SMN2
SCHEMBL8167757 0.80 ALDH1A1 (0.48) SMN1; SMN2
SCHEMBL10178590 0.80 ALDH1A1 (0.48) SMN1; SMN2
SCHEMBL12134413 0.80 KDM4E (0.32) KDM4ESMN1; SMN2
SCHEMBL506543 0.80 CES2 (0.44) KDM4ESMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2751099-B1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMA (US) 2017-06-14 EP disclosed
US-9630956-B2 Compounds useful as inhibitors of ATR kinase VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-04-25 US disclosed
US-9630956-B2 Compounds useful as inhibitors of ATR kinase VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-04-25 US disclosed
US-9630956-B2 Compounds useful as inhibitors of ATR kinase VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-04-25 US disclosed
EP-2694498-B1 AMINOPYRAZINE COMPOUNDS USEFUL AS INHIBITORS OF TRA KINASE VERTEX PHARMA (US) 2016-03-30 EP disclosed
EP-2694498-B1 AMINOPYRAZINE COMPOUNDS USEFUL AS INHIBITORS OF TRA KINASE VERTEX PHARMA (US) 2016-03-30 EP disclosed
US-8877759-B2 Aminopyrazines as ATR kinase inhibitors Vertex Pharnaceuticals Incorporated (US) 2014-11-04 US disclosed
US-8853217-B2 Compounds useful as inhibitors of ATR kinase VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-10-07 US disclosed
US-8846686-B2 Compounds useful as inhibitors of ATR kinase VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-09-30 US disclosed
EP-2751099-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE Vertex Pharmaceuticals Incorporated (US) 2014-07-09 EP disclosed
WO-2012138938-A1 AMINOPYRAZINE COMPOUNDS USEFUL AS INHIBITORS OF TRA KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-10-11 WO disclosed
WO-2012138938-A1 AMINOPYRAZINE COMPOUNDS USEFUL AS INHIBITORS OF TRA KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-10-11 WO disclosed
US-20120027874-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-02-02 US disclosed
US-20120027874-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-02-02 US disclosed
US-20120027874-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-02-02 US disclosed
WO-2011143426-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-11-17 WO disclosed
WO-2011143426-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-11-17 WO disclosed
US-20090170911-A1 NOVEL AZOLE COMPOUND AJINOMOTO CO. INC (JP) 2009-07-02 US disclosed
US-7517996-B2 Azole compound AJINOMOTO CO., INC. (JP) 2009-04-14 US disclosed
US-20060194850-A1 Novel azole compound AJINOMOTO CO. INC (JP) 2006-08-31 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 (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-20090170911-A1 NOVEL AZOLE COMPOUND LPAR1, LPAR2, LPAR3 CA1 2436/4885CA2 1252/4885KDM4E 2822/4885
US-20120027874-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE ATR, CHEK1, CHEK2 CA1 4196/4885CA2 2639/4885KDM4E 1834/4885
US-20060194850-A1 Novel azole compound LPAR1, LPAR2, LPAR3 CA1 2436/4885CA2 1252/4885KDM4E 2822/4885

“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.