SCHEMBL17099640

SCHEMBL17099640

NC(=O)c1ncnc2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PI4KA P42356 1/20 0.52
PI4K2B Q8TCG2 1/20 0.52
PI4K2A Q9BTU6 1/20 0.52
PI4KB Q9UBF8 1/20 0.52
LCK P06239 1/20 0.51
MAP2K3 P46734 1/20 0.51
MAP2K6 P52564 1/20 0.51
BTK Q06187 1/20 0.51
MAP3K19 Q56UN5 1/20 0.51
NEK10 Q6ZWH5 1/20 0.51
PDE4A P27815 1/20 0.47
PDE4B Q07343 1/20 0.47
PDE4C Q08493 1/20 0.47
PDE4D Q08499 1/20 0.47
LMNA P02545 1/20 0.46
ADORA3 P0DMS8 1/20 0.45
ADORA2A P29274 1/20 0.44
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
KMT2A Q03164 3/20 0.43

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
SCHEMBL31385237 1.00 PI4KA (0.52) PI4KAPI4K2BPI4K2API4KBLCK
SCHEMBL27554878 0.82 PI4KA (0.53) PI4KAPI4K2BPI4K2API4KBPDE4A
SCHEMBL2833079 0.82 SMN1; SMN2 (0.52) PI4KAPI4K2BPI4K2API4KBPDE4A
SCHEMBL30902246 0.82 SMN1; SMN2 (0.52) PI4KAPI4K2BPI4K2API4KBPDE4A
Lithium Ion SCHEMBL21818896 0.81 PI4KA (0.47) PI4KAPI4K2BPI4K2API4KBPDE4A
SCHEMBL11558582 0.81 PI4KA (0.57) PI4KAPI4K2BPI4K2API4KBPDE4A
Hydrochloric Acid SCHEMBL20269711 0.79 PI4KA (0.55) PI4KAPI4K2BPI4K2API4KBPDE4A
SCHEMBL27874136 0.78 PI4KA (0.44) PI4KAPI4K2BPI4K2API4KBPDE4A
4-Aminoquinazoline SCHEMBL27977310 0.77 PI4KA (0.81) PI4KAPI4K2BPI4K2API4KBLCK
SCHEMBL15500822 0.77 RXFP1 (0.51) LMNAADORA3NPC1RAB9AKMT2A

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117751107-A Organic pyridine-pyrazole compounds and uses thereof 博善人工智能剑桥有限公司 2024-03-22 CN claimed
CN-115551354-A Active compound combinations and fungicide compositions comprising them 拜耳公司 2022-12-30 CN claimed
CN-115551355-A Active compound combinations and fungicide compositions comprising them 拜耳公司 2022-12-30 CN claimed
CN-115515426-A Active compound combinations and fungicide compositions comprising them 拜耳公司 2022-12-23 CN claimed
EP-3253390-B1 AMINOQUINAZOLINE COMPOUNDS AS A2A ANTAGONIST MERCK SHARP & DOHME (US) 2022-04-13 EP claimed
US-10829501-B2 Spiroheptane salicylamides and related compounds as inhibitors of ROCK BRISTOL-MYERS SQUIBB COMPANY (US) 2020-11-10 US claimed
US-20200131200-A1 SPIROHEPTANE SALICYLAMIDES AND RELATED COMPOUNDS AS INHIBITORS OF ROCK BRISTOL MYERS SQUIBB CO (US) 2020-04-30 US claimed
CN-109071563-A Inhibitors of bruton's tyrosine kinase and methods of use thereof 詹森药业有限公司 2018-12-21 CN claimed
CN-119119035-A RIPK1 kinase target inhibitor and preparation method and application thereof 中山大学 2024-12-13 CN disclosed
CN-117751107-A Organic pyridine-pyrazole compounds and uses thereof 博善人工智能剑桥有限公司 2024-03-22 CN disclosed
CN-106977495-B DNA-PK inhibitors 沃泰克斯药物股份有限公司 2020-08-04 CN disclosed
CN-106986863-B DNA-PK inhibitors 沃泰克斯药物股份有限公司 2019-12-31 CN disclosed
CN-107236008-B Quinazoline -4- amido glucosan derivative and preparation method and bioactivity 鲁东大学 2019-08-06 CN disclosed
CN-107236008-B Quinazoline -4- amido glucosan derivative and preparation method and bioactivity 鲁东大学 2019-08-06 CN disclosed
EP-3119781-A1 COMPOUNDS WHICH INHIBIT RNA POLYMERASE, COMPOSITIONS INCLUDING SUCH COMPOUNDS, AND THEIR USE The Johns Hopkins University (US) 2017-01-25 EP disclosed
CN-105658639-A Alkynyl alcohols and methods of use 豪夫迈·罗氏有限公司 2016-06-08 CN disclosed
CN-105636958-A Dna-pk inhibitors VERTEX PHARMA 2016-06-01 CN disclosed
WO-2015143293-A1 COMPOUNDS WHICH INHIBIT RNA POLYMERASE, COMPOSITIONS INCLUDING SUCH COMPOUNDS, AND THEIR USE THE JOHNS HOPKINS UNIVERSITY (US) 2015-09-24 WO disclosed
CN-104640852-A Dna-pk inhibitors VERTEX PHARMA 2015-05-20 CN disclosed
CN-101171245-A Indolylamino quinazoline derivatives as antitumor agents ASTRAZENECA AB (SE) 2008-04-30 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 (2 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-10829501-B2 Spiroheptane salicylamides and related compounds as inhibitors of ROCK ROCK1, MYLK, RHOA PI4KA 3328/4885PI4K2B 4347/4885PI4K2A 4107/4885
US-20200131200-A1 SPIROHEPTANE SALICYLAMIDES AND RELATED COMPOUNDS AS INHIBITORS OF ROCK ROCK1, MYLK, RHOA PI4KA 3328/4885PI4K2B 4347/4885PI4K2A 4107/4885

“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.