SCHEMBL16714107

SCHEMBL16714107

O=C(Nc1ccc(OC(F)(F)F)cc1)c1cncc(-c2cncc(F)c2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 19/20 1.00
▸ OPRM1 P35372 1/20 0.76
▸ KCNH2 Q12809 1/20 0.76
▸ SCN10A Q9Y5Y9 1/20 0.69

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
SCHEMBL15391083 0.89 ABL1 (1.00) ABL1OPRM1KCNH2SCN10A
SCHEMBL23390105 0.88 ABL1 (0.83) ABL1OPRM1KCNH2SCN10A
SCHEMBL23390206 0.87 ABL1 (0.79) ABL1OPRM1KCNH2SCN10A
SCHEMBL16714111 0.86 ABL1 (1.00) ABL1OPRM1KCNH2SCN10A
SCHEMBL29771395 0.86 ABL1 (1.00) ABL1OPRM1KCNH2SCN10A
SCHEMBL15392342 0.86 ABL1 (1.00) ABL1
SCHEMBL16714118 0.85 ABL1 (1.00) ABL1OPRM1KCNH2SCN10A
SCHEMBL19226185 0.82 ABL1 (0.79) ABL1OPRM1KCNH2SCN10A
SCHEMBL15391647 0.81 ABL1 (0.70) ABL1OPRM1KCNH2SCN10A
SCHEMBL19226080 0.81 ABL1 (0.67) ABL1OPRM1KCNH2

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 1/4885OPRM1 3914/4885KCNH2 1726/4885
US-20150141427-A1 COMPOUNDS AND COMPOSITIONS FOR INHIBITING THE ACTIVITY OF ABL1, ABL2 AND BCR-ABL1 ABL1, ABL2, BCR ABL1 1/4885OPRM1 3914/4885KCNH2 1726/4885

“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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