SCHEMBL29655221

SCHEMBL29655221

COC(=O)Nc1ccccn1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 10/20 0.66
RAB9A P51151 10/20 0.66
PKM P14618 3/20 0.66
GAA P10253 2/20 0.61
SMN1; SMN2 Q16637 6/20 0.59
TP53 P04637 2/20 0.59
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
F2 P00734 1/20 0.59
KDM4E B2RXH2 3/20 0.58
ALDH1A1 P00352 2/20 0.58
ADORA3 P0DMS8 1/20 0.56
PIM1 P11309 1/20 0.56
ADORA2A P29274 1/20 0.56
ADORA2B P29275 1/20 0.56
ADORA1 P30542 1/20 0.56
FLT3 P36888 1/20 0.56
PIM3 Q86V86 1/20 0.56
AURKB Q96GD4 1/20 0.56
HTT P42858 1/20 0.54

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
SCHEMBL17266541 1.00 NPC1 (0.66) NPC1RAB9APKMGAASMN1; SMN2
SCHEMBL21275831 0.84 JAK2 (0.59) NPC1RAB9APKMGAASMN1; SMN2
SCHEMBL9089971 0.83 RAB9A (0.63) NPC1RAB9APKMGAASMN1; SMN2
SCHEMBL11794850 0.82 NPC1 (0.58) NPC1RAB9APKMGAASMN1; SMN2
SCHEMBL222110 0.82 NPC1 (0.58) NPC1RAB9APKMGAASMN1; SMN2
SCHEMBL29695306 0.82 NPC1 (0.58) NPC1RAB9APKMGAASMN1; SMN2
SCHEMBL29655094 0.82 NPC1 (0.60) NPC1RAB9APKMGAASMN1; SMN2
SCHEMBL6179239 0.82 NPC1 (0.60) NPC1RAB9APKMGAASMN1; SMN2
SCHEMBL31288927 0.82 NPC1 (0.66) NPC1RAB9APKMGAASMN1; SMN2
SCHEMBL29018750 0.81 RAB9A (0.61) NPC1RAB9APKMGAASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111936486-B Heterocyclic compounds comprising pyridine as modulators of IL-12, IL-23 and/or IFN alpha responses 百时美施贵宝公司 2023-09-22 CN claimed
US-20240376128-A1 N-CYCLOPROPYLPYRIDO [4, 3-D] PYRIMIDIN-4-AMINE DERIVATIVES AND USES THEREOF JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2024-11-14 US disclosed
CN-118201619-A Combination therapy of VPS34 inhibitors with STING agonists for the treatment of cancer 德西费拉制药有限责任公司 2024-06-14 CN disclosed
CN-111032046-B Pyruvate kinase modulators and uses thereof 安吉奥斯医药品有限公司 2023-09-26 CN disclosed
WO-2022213980-A1 TYK2 INHIBITOR AND USE THEREOF 上海齐鲁制药研究中心有限公司 2022-10-13 WO disclosed
CN-109843874-B Phthalazine derivatives useful as inhibitors of PARP1, PARP2 and/or tubulin for the treatment of cancer 加利福尼亚大学董事会 2022-05-27 CN 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 (1 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-20240376128-A1 N-CYCLOPROPYLPYRIDO [4, 3-D] PYRIMIDIN-4-AMINE DERIVATIVES AND USES THEREOF CYP4A11, CYP4B1, DHPS NPC1 364/4885RAB9A 863/4885PKM 904/4885

“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.