SCHEMBL5115735

SCHEMBL5115735

Brc1cncc(-c2ccncc2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 3/20 0.60
LMNA P02545 1/20 0.50
MAPT P10636 1/20 0.50
CYP11B1 P15538 3/20 0.47
CYP11B2 P19099 3/20 0.47
PTK2 Q05397 1/20 0.44
ROCK2 O75116 1/20 0.43
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
ALOX12 P18054 1/20 0.43
HTT P42858 1/20 0.43
ROCK1 Q13464 1/20 0.43
NOTUM Q6P988 1/20 0.42
PDGFRB P09619 2/20 0.41
PDGFRA P16234 2/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
EGFR P00533 1/20 0.39
PIK3CD O00329 1/20 0.39
PIK3CA P42336 1/20 0.39

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
SCHEMBL14392676 0.85 CYP2A6 (0.61) CYP2A6CYP11B1CYP11B2PTK2HTT
SCHEMBL20358136 0.83 MAPT (0.65) CYP2A6LMNAMAPTNOTUMPDGFRB
SCHEMBL5050 0.82 CYP2A6 (0.55) CYP2A6CYP11B1CYP11B2PTK2ALDH1A1
SCHEMBL12068479 0.80 MAPT (0.61) CYP2A6LMNAMAPTNOTUMPDGFRB
SCHEMBL2155431 0.78 CYP2A6 (0.52) CYP2A6MAPTCYP11B1CYP11B2PTK2
SCHEMBL3374955 0.78 CYP2A6 (0.52) CYP2A6MAPTCYP11B1CYP11B2PTK2
SCHEMBL425957 0.78 CYP11B1 (0.57) CYP2A6CYP11B1CYP11B2PTK2EGFR
SCHEMBL5116017 0.78 CYP2A6 (0.52) CYP2A6CYP11B1CYP11B2PTK2EGFR
SCHEMBL4270686 0.78 CYP2A6 (0.62) CYP2A6LMNAMAPTCYP11B1CYP11B2
SCHEMBL5110764 0.78 CYP2A6 (0.52) CYP2A6MAPTCYP11B1CYP11B2PTK2

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 8 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
CN-112088157-A Aryl-bipyridine amine derivatives as phosphoinositide kinase inhibitors 拉文纳制药公司 2020-12-15 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
WO-2012005214-A1 ELECTRON TRANSPORT MATERIAL AND ORGANIC ELECTROLUMINESCENT ELEMENTS USING SAME JNC株式会社 (JP) 2012-01-12 WO disclosed
US-7442694-B2 Diazabicyclic compounds useful in the treatment of CNS and other disorders PFIZER INC (US) 2008-10-28 US disclosed
US-20040106603-A1 Diazabicyclic compounds useful in the treatment of CNS and other disorders PFIZER INC 2004-06-03 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-20200331913-A1 ARYL-BIPYRIDINE AMINE DERIVATIVES AS PHOSPHATIDYLINOSITOL PHOSPHATE KINASE INHIBITORS PIP5K1A, PIP5K1B, PIP5K1C CYP2A6 2673/4885LMNA 3441/4885MAPT 1003/4885
US-11919902-B2 Aryl-bipyridine amine derivatives as phosphatidylinositol phosphate kinase inhibitors PIP5K1A, PIP5K1B, PIP5K1C CYP2A6 2673/4885LMNA 3441/4885MAPT 1003/4885
US-20040106603-A1 Diazabicyclic compounds useful in the treatment of CNS and other disorders DBH, CHRNA6, DDT CYP2A6 240/4885LMNA 3769/4885MAPT 319/4885

“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.