SCHEMBL3374955

SCHEMBL3374955

Nc1ccc(-c2cncc(Br)c2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2A6 P11509 2/20 0.52
▸ CYP11B1 P15538 3/20 0.49
▸ CYP11B2 P19099 3/20 0.49
▸ ALDH1A1 P00352 3/20 0.46
▸ CYP3A4 P08684 3/20 0.46
▸ TP53 P04637 2/20 0.46
▸ TDP1 Q9NUW8 2/20 0.46
▸ PRKCZ Q05513 2/20 0.43
▸ ALOX15 P16050 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ HSD17B10 Q99714 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ PTK2 Q05397 1/20 0.42

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
SCHEMBL11154615 0.84 CYP3A4 (0.58) CYP2A6CYP11B1CYP11B2ALDH1A1CYP3A4
SCHEMBL14392676 0.82 CYP2A6 (0.61) CYP2A6CYP11B1CYP11B2ALOX15KDM4E
SCHEMBL3346102 0.79 CYP2A6 (0.52) CYP2A6CYP11B1CYP11B2ALOX15MEN1
SCHEMBL5110764 0.79 CYP2A6 (0.52) CYP2A6CYP11B1CYP11B2ALDH1A1MAPK1
SCHEMBL5116017 0.79 CYP2A6 (0.52) CYP2A6CYP11B1CYP11B2PTK2PGR
SCHEMBL425957 0.79 CYP11B1 (0.57) CYP2A6CYP11B1CYP11B2SMN1; SMN2PTK2
SCHEMBL4901239 0.79 CYP2A6 (0.47) CYP2A6CYP11B1CYP11B2ALDH1A1TP53
SCHEMBL3372213 0.79 MEN1 (0.59) CYP2A6CYP11B1CYP11B2CYP3A4MEN1
SCHEMBL3666921 0.79 CYP2A6 (0.53) CYP2A6CYP11B1CYP11B2MAPTSMN1; SMN2
SCHEMBL5050 0.78 CYP2A6 (0.55) CYP2A6CYP11B1CYP11B2ALDH1A1ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11919902-B2 Aryl-bipyridine amine derivatives as phosphatidylinositol phosphate kinase inhibitors HIBERCELL, INC. (US) 2024-03-05 — — US disclosed
CN-112088157-B Aryl-bipyridylamine derivatives as phosphatidylinositol phosphokinase inhibitors 拉文纳制药公司 2023-12-26 — — CN disclosed
EP-3728230-A1 ARYL-BIPYRIDINE AMINE DERIVATIVES AS PHOSPHATIDYLINOSITOL PHOSPHATE KINASE INHIBITORS Ravenna Pharmaceuticals, Inc. (US) 2020-10-28 — — EP disclosed
US-20200331913-A1 ARYL-BIPYRIDINE AMINE DERIVATIVES AS PHOSPHATIDYLINOSITOL PHOSPHATE KINASE INHIBITORS HIBERCELL, INC. 2020-10-22 — — US disclosed
US-20200331913-A1 ARYL-BIPYRIDINE AMINE DERIVATIVES AS PHOSPHATIDYLINOSITOL PHOSPHATE KINASE INHIBITORS HIBERCELL, INC. 2020-10-22 — — US disclosed
EP-2589592-B1 NOVEL NICOTINAMIDE DERIVATIVES OR SALTS THEREOF FUJIFILM CORP (JP) 2018-08-22 — — EP disclosed
US-8895585-B2 Nicotinamide derivative or salt thereof FUJIFILM CORPORATION (JP) 2014-11-25 — — US disclosed
US-8895585-B2 Nicotinamide derivative or salt thereof FUJIFILM CORPORATION (JP) 2014-11-25 — — US disclosed
US-8895585-B2 Nicotinamide derivative or salt thereof FUJIFILM CORPORATION (JP) 2014-11-25 — — US disclosed
US-8809371-B2 — — 2014-08-19 — — US disclosed
US-8809371-B2 — — 2014-08-19 — — US disclosed
US-8809371-B2 — — 2014-08-19 — — US disclosed
US-8772320-B2 — — 2014-07-08 — — US disclosed
US-20130116430-A1 NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF FUJIFILM CORPORATION (JP) 2013-05-09 — — US disclosed
US-20130116430-A1 NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF FUJIFILM CORPORATION (JP) 2013-05-09 — — US disclosed
US-20130116430-A1 NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF FUJIFILM CORPORATION (JP) 2013-05-09 — — US disclosed
EP-2589592-A1 NOVEL NICOTINAMIDE DERIVATIVES OR SALTS THEREOF FUJIFILM Corporation (JP) 2013-05-08 — — EP disclosed
EP-2589592-A1 NOVEL NICOTINAMIDE DERIVATIVES OR SALTS THEREOF FUJIFILM Corporation (JP) 2013-05-08 — — EP disclosed
CN-102958918-A Novel nicotinamide derivatives or salts thereof FUJIFILM CORP 2013-03-06 — — CN disclosed
WO-2012002577-A1 NOVEL NICOTINAMIDE DERIVATIVES OR SALTS THEREOF 富士フイルム株式会社 (JP) 2012-01-05 — — 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-20200331913-A1 ARYL-BIPYRIDINE AMINE DERIVATIVES AS PHOSPHATIDYLINOSITOL PHOSPHATE KINASE INHIBITORS PIP5K1A, PIP5K1B, PIP5K1C CYP2A6 2673/4885CYP11B1 3191/4885CYP11B2 3643/4885
US-20130116430-A1 NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF SYK, CD38, BTK CYP2A6 3349/4885CYP11B1 1175/4885CYP11B2 1639/4885
US-11919902-B2 Aryl-bipyridine amine derivatives as phosphatidylinositol phosphate kinase inhibitors PIP5K1A, PIP5K1B, PIP5K1C CYP2A6 2673/4885CYP11B1 3191/4885CYP11B2 3643/4885

“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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