SCHEMBL16714120

SCHEMBL16714120

O=C(Nc1ccc(OC(F)(F)F)cc1)c1ccc(Cl)c(-c2ccncc2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 18/20 1.00
▸ MEN1 O00255 1/20 0.61
▸ HTT P42858 1/20 0.61
▸ KMT2A Q03164 1/20 0.61
▸ SMN1; SMN2 Q16637 1/20 0.61
▸ NPC1 O15118 1/20 0.58
▸ RAB9A P51151 1/20 0.58
▸ L3MBTL1 Q9Y468 1/20 0.58
▸ KCNH2 Q12809 1/20 0.58

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
SCHEMBL16714132 0.88 ABL1 (1.00) ABL1KCNH2
SCHEMBL15392839 0.88 ABL1 (0.81) ABL1KCNH2
SCHEMBL15392693 0.88 ABL1 (1.00) ABL1MEN1HTTKMT2ASMN1; SMN2
SCHEMBL15391437 0.85 ABL1 (1.00) ABL1KCNH2
SCHEMBL15392155 0.82 ABL1 (1.00) ABL1KCNH2
SCHEMBL16714126 0.81 ABL1 (1.00) ABL1KCNH2
SCHEMBL16714109 0.81 ABL1 (0.67) ABL1MEN1HTTKMT2ASMN1; SMN2
SCHEMBL6657635 0.80 TRPV1 (0.76) ABL1MEN1HTTKMT2ASMN1; SMN2
SCHEMBL15393163 0.79 ABL1 (0.65) ABL1MEN1HTTKMT2ASMN1; SMN2
SCHEMBL17457648 0.78 ABL1 (0.62) ABL1MEN1HTTKMT2ASMN1; 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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2900637-B1 THIAZOLE OR IMIDAZOLE SUBSTITUTED PYRIMIDINE, PYRIDINE AND PYRAZINE AMIDE DERIVATIVES AND RELATED COMPOUNDS AS ABL1, ABL2 AND BCR-ABL1 INHIBITORS FOR THE TREATMENT OF CANCER, SPECIFIC VIRAL INFECTIONS AND SPECIFIC CNS DISORDERS NOVARTIS AG (CH) 2017-08-09 — — EP disclosed
EP-2900637-B1 THIAZOLE OR IMIDAZOLE SUBSTITUTED PYRIMIDINE, PYRIDINE AND PYRAZINE AMIDE DERIVATIVES AND RELATED COMPOUNDS AS ABL1, ABL2 AND BCR-ABL1 INHIBITORS FOR THE TREATMENT OF CANCER, SPECIFIC VIRAL INFECTIONS AND SPECIFIC CNS DISORDERS NOVARTIS AG (CH) 2017-08-09 — — EP disclosed
US-9458112-B2 Compounds and compositions for inhibiting the activity of ABL1, ABL2 and BCR-ABL1 NOVARTIS AG (CH) 2016-10-04 — — US disclosed
US-9458112-B2 Compounds and compositions for inhibiting the activity of ABL1, ABL2 and BCR-ABL1 NOVARTIS AG (CH) 2016-10-04 — — US disclosed
US-9458112-B2 Compounds and compositions for inhibiting the activity of ABL1, ABL2 and BCR-ABL1 NOVARTIS AG (CH) 2016-10-04 — — US disclosed
US-20160185733-A1 COMPOUNDS AND COMPOSITIONS FOR INHIBITING THE ACTIVITY OF ABL1, ABL2 AND BCR-ABL1 NOVARTIS AG (CH) 2016-06-30 — — US disclosed
US-20160185733-A1 COMPOUNDS AND COMPOSITIONS FOR INHIBITING THE ACTIVITY OF ABL1, ABL2 AND BCR-ABL1 NOVARTIS AG (CH) 2016-06-30 — — US disclosed
US-20160185733-A1 COMPOUNDS AND COMPOSITIONS FOR INHIBITING THE ACTIVITY OF ABL1, ABL2 AND BCR-ABL1 NOVARTIS AG (CH) 2016-06-30 — — US disclosed
US-9315489-B2 Compounds and compositions for inhibiting the activity of ABL1, ABL2 and BCR-ABL1 NOVARTIS AG (CH) 2016-04-19 — — US disclosed
US-9315489-B2 Compounds and compositions for inhibiting the activity of ABL1, ABL2 and BCR-ABL1 NOVARTIS AG (CH) 2016-04-19 — — US disclosed
US-9315489-B2 Compounds and compositions for inhibiting the activity of ABL1, ABL2 and BCR-ABL1 NOVARTIS AG (CH) 2016-04-19 — — US disclosed
US-20150141427-A1 COMPOUNDS AND COMPOSITIONS FOR INHIBITING THE ACTIVITY OF ABL1, ABL2 AND BCR-ABL1 NOVARTIS AG (CH) 2015-05-21 — — US disclosed
US-20150141427-A1 COMPOUNDS AND COMPOSITIONS FOR INHIBITING THE ACTIVITY OF ABL1, ABL2 AND BCR-ABL1 NOVARTIS AG (CH) 2015-05-21 — — US disclosed
US-20150141427-A1 COMPOUNDS AND COMPOSITIONS FOR INHIBITING THE ACTIVITY OF ABL1, ABL2 AND BCR-ABL1 NOVARTIS AG (CH) 2015-05-21 — — 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 (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-20160185733-A1 COMPOUNDS AND COMPOSITIONS FOR INHIBITING THE ACTIVITY OF ABL1, ABL2 AND BCR-ABL1 ABL1, ABL2, BCR ABL1 1/4885MEN1 1349/4885HTT 2834/4885
US-20150141427-A1 COMPOUNDS AND COMPOSITIONS FOR INHIBITING THE ACTIVITY OF ABL1, ABL2 AND BCR-ABL1 ABL1, ABL2, BCR ABL1 1/4885MEN1 1349/4885HTT 2834/4885

“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.

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