SCHEMBL21915045

SCHEMBL21915045

CC(C)c1cc(Cl)nc2[nH]ccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.41
▸ ADORA2A P29274 4/20 0.38
▸ AXL P30530 2/20 0.38
▸ PRKCI P41743 2/20 0.38
▸ ADORA1 P30542 2/20 0.38
▸ DYRK1A Q13627 1/20 0.34
▸ ATR Q13535 6/20 0.33
▸ ATRIP Q8WXE1 6/20 0.33
▸ PDCD1 Q15116 2/20 0.33
▸ CD274 Q9NZQ7 2/20 0.33
▸ CHEK1 O14757 2/20 0.32
▸ AURKA O14965 1/20 0.32
▸ JAK2 O60674 1/20 0.32
▸ MAP4K4 O95819 1/20 0.32
▸ PAK4 O96013 1/20 0.32
▸ ABL1 P00519 1/20 0.32
▸ CSF1R P07333 1/20 0.32
▸ RET P07949 1/20 0.32
▸ PDGFRA P16234 1/20 0.32
▸ FLT1 P17948 1/20 0.32

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
SCHEMBL20656488 0.84 ADORA2A (0.34) LMNAADORA2AAXLPRKCIADORA1
SCHEMBL24117359 0.81 ADORA2A (0.35) ADORA2AAXLPRKCIADORA1DYRK1A
SCHEMBL17998718 0.81 ADORA2A (0.46) LMNAADORA2AAXLPRKCIADORA1
SCHEMBL17998720 0.79 DYRK1A (0.41) ADORA2AADORA1DYRK1AJAK3
SCHEMBL681636 0.79 DYRK1A (0.34) ADORA2AAXLPRKCIADORA1DYRK1A
SCHEMBL21027640 0.77 ADORA2A (0.36) ADORA2AADORA1DYRK1ATGFBR1
SCHEMBL20651528 0.77 AXL (0.49) LMNAADORA2AAXLPRKCIADORA1
SCHEMBL13906236 0.76 PRKCI (0.52) ADORA2AAXLPRKCIADORA1DYRK1A
SCHEMBL31275227 0.76 PRKCI (0.52) ADORA2AAXLPRKCIADORA1DYRK1A
SCHEMBL25776382 0.73 PRKCI (0.36) LMNAPRKCIDYRK1AJAK2MAP4K4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210047311-A1 HETEROCYCLIC INHIBITORS OF ATR KINASE ARTIOS PHARMA LIMITED (GB) 2021-02-18 — — 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

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-10800769-B2 Heterocyclic inhibitors of ATR kinase ATR, CHEK1, CHEK2 LMNA 2072/4885ADORA2A 2989/4885AXL 1195/4885
US-20200102296-A1 HETEROCYCLIC INHIBITORS OF ATR KINASE ATR, CHEK1, CHEK2 LMNA 2072/4885ADORA2A 2989/4885AXL 1195/4885
US-20210047311-A1 HETEROCYCLIC INHIBITORS OF ATR KINASE ATR, CHEK1, CHEK2 LMNA 2072/4885ADORA2A 2989/4885AXL 1195/4885

“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.

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