SCHEMBL16056650

SCHEMBL16056650

O=C(CBr)c1ccnc(C(F)(F)F)c1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 5/20 0.50
▸ GSK3B P49841 2/20 0.50
▸ VNN1 O95497 1/20 0.46
▸ LOXL2 Q9Y4K0 2/20 0.45
▸ LOX P28300 1/20 0.44
▸ SMARCA2 P51531 1/20 0.42
▸ SMARCA4 P51532 1/20 0.42
▸ KCNH2 Q12809 1/20 0.42
▸ DDR1 Q08345 1/20 0.41

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
SCHEMBL30016275 1.00 PTPN1 (0.50) PTPN1GSK3BVNN1LOXL2LOX
SCHEMBL29227517 0.83 DDR1 (0.46) VNN1LOXL2LOXSMARCA2SMARCA4
SCHEMBL25334034 0.81 PLOD2 (0.61) VNN1LOXL2LOXSMARCA2SMARCA4
SCHEMBL29227518 0.81 VNN1 (0.44) VNN1LOXL2LOXSMARCA2SMARCA4
SCHEMBL28019417 0.80 VNN1 (0.58) VNN1LOXL2LOXSMARCA2SMARCA4
SCHEMBL16632312 0.80 VNN1 (0.43) VNN1LOXL2LOXSMARCA2SMARCA4
SCHEMBL503171 0.79 KDM5C (0.55) VNN1LOXL2LOXSMARCA2SMARCA4
SCHEMBL29427285 0.79 KDM5C (0.55) VNN1LOXL2LOXSMARCA2SMARCA4
SCHEMBL30989557 0.79 GSK3B (0.52) PTPN1GSK3B
SCHEMBL19434309 0.77 PTPN1 (0.50) PTPN1GSK3BLOXL2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230183233-A1 Bicyclic Pyridin-2-one and pyrimidin-4-one Derivatives Useful As a Factor XIa Inhibitors JANSSEN PHARMACEUTICA NV (BE) 2023-06-15 — — US disclosed
US-20230183233-A1 Bicyclic Pyridin-2-one and pyrimidin-4-one Derivatives Useful As a Factor XIa Inhibitors JANSSEN PHARMACEUTICA NV (BE) 2023-06-15 — — US disclosed
CN-116134035-A 3- (1H-imidazol-2-yl) -2,3,8 a-tetrahydroindol-5 (1H) -one derivatives useful as factor XIA inhibitors 詹森药业有限公司 2023-05-16 — — CN disclosed
EP-2970201-B1 6-[4-(1H-IMIDAZOL-2-YL)PIPERIDIN-1-YL]PYRIMIDIN-4-AMINE DERIVATIVES AS MODULATORS OF KINASE ACTIVITY MERCK PATENT GMBH (DE) 2019-06-19 — — EP disclosed
US-9867826-B2 Heterocycles as modulators of kinase activity MERCK PATENT GMBH (DE) 2018-01-16 — — US disclosed
US-20160361316-A1 NOVEL HETEROCYCLES AS MODULATORS OF KINASE ACTIVITY MERCK PATENT GMBH (DE) 2016-12-15 — — US disclosed
US-9458134-B2 Heterocycles as modulators of kinase activity MERCK PATENT GMBH (DE) 2016-10-04 — — US disclosed
US-20160016936-A1 NOVEL HETEROCYCLES AS MODULATORS OF KINASE ACTIVITY MERCK PATENT GMBH (DE) 2016-01-21 — — US disclosed
EP-2970201-A1 6-[4-(1 H-IMIDAZOL-2-YL)PIPERIDIN-1 -YL]PYRIMIDIN-4-AMINE DERIVATIVES AS MODULATORS OF KINASE ACTIVITY Merck Patent GmbH (DE) 2016-01-20 — — EP disclosed
WO-2014143612-A1 6-[4-(1 H-IMIDAZOL-2-YL)PIPERIDIN-1 -YL]PYRIMIDIN-4-AMINE DERIVATIVES AS MODULATORS OF KINASE ACTIVITY MERCK PATENT GMBH (DE) 2014-09-18 — — 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 (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-20160361316-A1 NOVEL HETEROCYCLES AS MODULATORS OF KINASE ACTIVITY MAP3K20, MAP3K19, MAP3K15 PTPN1 1099/4885GSK3B 588/4885VNN1 4355/4885
US-20160016936-A1 NOVEL HETEROCYCLES AS MODULATORS OF KINASE ACTIVITY MAP3K20, MAP3K19, MAP3K15 PTPN1 1099/4885GSK3B 588/4885VNN1 4355/4885
US-20230183233-A1 Bicyclic Pyridin-2-one and pyrimidin-4-one Derivatives Useful As a Factor XIa Inhibitors KLKB1, F2, SERPINC1 PTPN1 2296/4885GSK3B 1699/4885VNN1 1009/4885

“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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