SCHEMBL22600702

SCHEMBL22600702

CCN1CCC(c2nc3c(F)c(Br)c(I)cc3c(=O)[nH]2)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TMIGD3 P0DMS9 1/20 0.38
ADORA1 P30542 1/20 0.38
PARP1 P09874 8/20 0.38
CDC7 O00311 2/20 0.36
PIM1 P11309 2/20 0.36
CSNK2B P67870 2/20 0.36
CSNK2A1 P68400 2/20 0.36
PARP2 Q9UGN5 3/20 0.35
TNKS O95271 2/20 0.35
TNKS2 Q9H2K2 2/20 0.35
IRAK4 Q9NWZ3 1/20 0.34
BRD4 O60885 1/20 0.34
TLR9 Q9NR96 1/20 0.33
TLR8 Q9NR97 1/20 0.33
TLR7 Q9NYK1 1/20 0.33
USP2 O75604 1/20 0.33
LMNA P02545 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33

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
SCHEMBL22600551 0.89 PARP1 (0.44) TMIGD3ADORA1PARP1CDC7PIM1
SCHEMBL24378773 0.85 PARP1 (0.44) PARP1TNKSTNKS2IRAK4TLR9
SCHEMBL25795251 0.85 CDC7 (0.38) TMIGD3ADORA1CDC7PIM1CSNK2B
SCHEMBL24378849 0.85 PARP1 (0.41) TMIGD3ADORA1PARP1CDC7PIM1
SCHEMBL22600708 0.84 CDC7 (0.37) TMIGD3ADORA1CDC7PIM1CSNK2B
SCHEMBL22600573 0.82 PARP14 (0.41) TMIGD3ADORA1CDC7PIM1CSNK2B
SCHEMBL22600706 0.78 ALDH1A1 (0.33) TLR9TLR8TLR7
SCHEMBL22600592 0.78 PARP14 (0.38) TMIGD3ADORA1CDC7PIM1CSNK2B
SCHEMBL22600737 0.77 PARP1 (0.41) TMIGD3ADORA1PARP1CDC7PIM1
SCHEMBL29222245 0.76 PARP1 (0.44) TMIGD3ADORA1PARP1CDC7PIM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3967695-B1 1-(7-(QUINAZOLIN-4-YL)-2,7-DIAZASPIRO[3.5]NONAN-2-YL)PROP-2-EN-1-ONE DERIVATIVES AS KRAS INHIBITORS FOR THE TREATMENT OF CANCER BETTA PHARMACEUTICALS CO LTD (CN) 2024-01-17 EP disclosed
US-20230219956-A1 QUINAZOLINE COMPOUND AND PHARMACEUTICAL APPLICATION THEREOF BETTA PHARMACEUTICALS CO.,LTD (CN) 2023-07-13 US disclosed
US-20230219956-A1 QUINAZOLINE COMPOUND AND PHARMACEUTICAL APPLICATION THEREOF BETTA PHARMACEUTICALS CO.,LTD (CN) 2023-07-13 US disclosed
WO-2022083616-A1 QUINAZOLINE COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF 贝达药业股份有限公司 2022-04-28 WO disclosed
WO-2020216190-A1 QUINAZOLINE COMPOUND AND PHARMACEUTICAL APPLICATION THEREOF 贝达药业股份有限公司 2020-10-29 WO 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-20230219956-A1 QUINAZOLINE COMPOUND AND PHARMACEUTICAL APPLICATION THEREOF H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, ABCG2, NQO2 TMIGD3 2867/4885ADORA1 1418/4885PARP1 992/4885

“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.