SCHEMBL20637862

SCHEMBL20637862

Ic1ccnc2c1ncn2C(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
MEN1 O00255 1/20 0.31
SLC22A1 O15245 1/20 0.31
KCNN4 O15554 1/20 0.31
NR1I2 O75469 1/20 0.31
GMNN O75496 1/20 0.31
USP2 O75604 1/20 0.31
TRPM2 O94759 1/20 0.31
ABCB11 O95342 1/20 0.31
EGFR P00533 1/20 0.31
CA2 P00918 1/20 0.31
LMNA P02545 1/20 0.31
NR3C1 P04150 1/20 0.31
ERBB2 P04626 1/20 0.31
TP53 P04637 1/20 0.31
CYP17A1 P05093 1/20 0.31
CYP1A2 P05177 1/20 0.31
FYN P06241 1/20 0.31
GLA P06280 1/20 0.31

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
SCHEMBL30668845 1.00 CYP11B1 (0.37) CYP11B1CYP11B2MEN1SLC22A1KCNN4
SCHEMBL21820970 0.79 CYP11B1 (0.34) CYP11B1CYP11B2
SCHEMBL9705370 0.72 PI4KA (0.37) CYP11B1CYP11B2EGFRADORA2A
SCHEMBL6699970 0.72 PI4KA (0.59) EGFRLMNAADORA2AADORA1SMN1; SMN2
SCHEMBL13012219 0.70 TYMP (0.45) MEN1LMNATP53ADORA3MAPT
SCHEMBL30582407 0.69 NR3C1 (0.32) CYP11B1CYP11B2MEN1SLC22A1KCNN4
SCHEMBL285259 0.68 CYP17A1 (0.35) CYP11B1CYP11B2KCNN4TP53CYP17A1
SCHEMBL15921702 0.68 P2RX7 (0.46) CYP11B1CYP11B2MEN1SLC22A1KCNN4
SCHEMBL16247699 0.67 ADORA1 (0.44) CYP1A2GLACYP3A4CYP2D6TSHR
SCHEMBL643809 0.67 CYP11B1 (0.37) CYP11B1CYP11B2MEN1SLC22A1KCNN4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117466884-A Heterocyclic compounds or salts thereof as ATR kinase inhibitors, pharmaceutical compositions containing same and uses thereof 德州大学系统董事会 2024-01-30 CN disclosed
EP-3651768-B1 HETEROCYCLIC INHIBITORS OF ATR KINASE UNIV TEXAS (US) 2023-12-20 EP disclosed
CN-111867590-B Heterocyclic inhibitors of ATR kinase 德州大学系统董事会 2023-11-17 CN disclosed
US-11434233-B2 Heterocyclic inhibitors of ATR kinase BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2022-09-06 US disclosed
US-20210047311-A1 HETEROCYCLIC INHIBITORS OF ATR KINASE ARTIOS PHARMA LIMITED (GB) 2021-02-18 US disclosed
US-20210047311-A1 HETEROCYCLIC INHIBITORS OF ATR KINASE ARTIOS PHARMA LIMITED (GB) 2021-02-18 US disclosed
CN-111867590-A Heterocyclic inhibitors of ATR kinase 德州大学系统董事会 2020-10-30 CN disclosed
US-10800769-B2 Heterocyclic inhibitors of ATR kinase BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2020-10-13 US disclosed
US-10800769-B2 Heterocyclic inhibitors of ATR kinase BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2020-10-13 US disclosed
US-20200102296-A1 HETEROCYCLIC INHIBITORS OF ATR KINASE SHANGPHARMA LLC 2020-04-02 US disclosed
US-20200102296-A1 HETEROCYCLIC INHIBITORS OF ATR KINASE SHANGPHARMA LLC 2020-04-02 US disclosed
US-10392376-B2 Heterocyclic inhibitors of ATR kinase BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2019-08-27 US disclosed
US-10392376-B2 Heterocyclic inhibitors of ATR kinase BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2019-08-27 US disclosed
WO-2019014618-A1 HETEROCYCLIC INHIBITORS OF ATR KINASE BOARD OF REGENTS, UNIVERSITY OF TEXAS SYSTEM (US) 2019-01-17 WO disclosed
US-20190016713-A1 HETEROCYCLIC INHIBITORS OF ATR KINASE ARTIOS PHARMA LIMITED (GB) 2019-01-17 US disclosed
US-20190016713-A1 HETEROCYCLIC INHIBITORS OF ATR KINASE ARTIOS PHARMA LIMITED (GB) 2019-01-17 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 (6 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-10800769-B2 Heterocyclic inhibitors of ATR kinase ATR, CHEK1, CHEK2 CYP11B1 2795/4885CYP11B2 3040/4885MEN1 2344/4885
US-10392376-B2 Heterocyclic inhibitors of ATR kinase ATR, CHEK1, CHEK2 CYP11B1 2795/4885CYP11B2 3040/4885MEN1 2344/4885
US-11434233-B2 Heterocyclic inhibitors of ATR kinase ATR, CHEK1, CHEK2 CYP11B1 2795/4885CYP11B2 3040/4885MEN1 2344/4885
US-20200102296-A1 HETEROCYCLIC INHIBITORS OF ATR KINASE ATR, CHEK1, CHEK2 CYP11B1 2795/4885CYP11B2 3040/4885MEN1 2344/4885
US-20190016713-A1 HETEROCYCLIC INHIBITORS OF ATR KINASE ATR, CHEK1, CHEK2 CYP11B1 2795/4885CYP11B2 3040/4885MEN1 2344/4885
US-20210047311-A1 HETEROCYCLIC INHIBITORS OF ATR KINASE ATR, CHEK1, CHEK2 CYP11B1 2795/4885CYP11B2 3040/4885MEN1 2344/4885

“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.