SCHEMBL20172471

SCHEMBL20172471

Brc1ccc(Nc2cccnc2)nc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
POLB P06746 1/20 0.47
CYP11B1 P15538 1/20 0.46
CYP11B2 P19099 1/20 0.46
ALDH1A1 P00352 1/20 0.46
KMT2A Q03164 4/20 0.41
ADRA2A P08913 2/20 0.41
ADRA2B P18089 2/20 0.41
ADRA2C P18825 2/20 0.41
RAD52 P43351 1/20 0.41
KDR P35968 1/20 0.41
KIF11 P52732 1/20 0.41
SORT1 Q99523 1/20 0.40
PKM P14618 1/20 0.40
KDM4E B2RXH2 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MEN1 O00255 2/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL31532396 0.82 ALDH1A1 (0.60) NPC1RAB9AALDH1A1KMT2APKM
SCHEMBL2280918 0.82 ALDH1A1 (0.60) NPC1RAB9AALDH1A1KMT2APKM
SCHEMBL20172444 0.79 SMN1; SMN2 (0.54) NPC1RAB9ACYP11B1CYP11B2ALDH1A1
SCHEMBL9954835 0.79 TSHR (0.68) NPC1RAB9APOLBCYP11B1CYP11B2
SCHEMBL968252 0.78 CYP11B1 (0.56) NPC1RAB9APOLBCYP11B1CYP11B2
SCHEMBL30396058 0.78 CYP11B1 (0.56) NPC1RAB9APOLBCYP11B1CYP11B2
SCHEMBL17969552 0.78 MAPK8 (0.45) NPC1RAB9ACYP11B1CYP11B2KMT2A
SCHEMBL28403065 0.77 RAB9A (0.47) NPC1RAB9AALDH1A1KMT2AMEN1
SCHEMBL29501850 0.77 RAB9A (0.47) NPC1RAB9AALDH1A1KMT2AMEN1
SCHEMBL355054 0.77 ALDH1A1 (0.50) NPC1RAB9AALDH1A1KMT2APKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240158415-A1 AMINOPYRIDINE DERIVATIVES AS PHOSPHATIDYLINOSITOL PHOSPHATE KINASE INHIBITORS HIBERCELL INC (US) 2024-05-16 US disclosed
US-11667651-B2 Aminopyridine derivatives as phosphatidylinositol phosphate kinase inhibitors HIBERCELL, INC. (US) 2023-06-06 US disclosed
US-11667651-B2 Aminopyridine derivatives as phosphatidylinositol phosphate kinase inhibitors HIBERCELL, INC. (US) 2023-06-06 US disclosed
US-11667651-B2 Aminopyridine derivatives as phosphatidylinositol phosphate kinase inhibitors HIBERCELL, INC. (US) 2023-06-06 US disclosed
US-20210317136-A1 AMINOPYRIDINE DERIVATIVES AS PHOSPHATIDYLINOSITOL PHOSPHATE KINASE INHIBITORS HIBERCELL, INC. 2021-10-14 US disclosed
US-20210317136-A1 AMINOPYRIDINE DERIVATIVES AS PHOSPHATIDYLINOSITOL PHOSPHATE KINASE INHIBITORS HIBERCELL, INC. 2021-10-14 US disclosed
CN-112020500-A Aminopyridine derivatives as inhibitors of phosphatidylinositol phosphokinase 拉文纳制药公司 2020-12-01 CN disclosed
EP-3728228-A1 AMINOPYRIDINE DERIVATIVES AS PHOSPHATIDYLINOSITOL PHOSPHATE KINASE INHIBITORS Ravenna Pharmaceuticals, Inc. (US) 2020-10-28 EP disclosed
EP-3137459-B1 MORPHOLIN-PYRIDINE DERIVATIVES HAVING AFFINITY TO THE TAAR1 RECEPTOR HOFFMANN LA ROCHE (CH) 2018-05-23 EP 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-20240158415-A1 AMINOPYRIDINE DERIVATIVES AS PHOSPHATIDYLINOSITOL PHOSPHATE KINASE INHIBITORS PIP5K1B, PIP5K1A, PIP5K1C NPC1 3594/4885RAB9A 1377/4885POLB 1198/4885
US-11667651-B2 Aminopyridine derivatives as phosphatidylinositol phosphate kinase inhibitors PIP5K1B, PIP5K1A, PIP5K1C NPC1 3580/4885RAB9A 1469/4885POLB 1245/4885
US-20210317136-A1 AMINOPYRIDINE DERIVATIVES AS PHOSPHATIDYLINOSITOL PHOSPHATE KINASE INHIBITORS PIP5K1B, PIP5K1A, PIP5K1C NPC1 3580/4885RAB9A 1469/4885POLB 1245/4885

“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.