SCHEMBL22600708

SCHEMBL22600708

O=c1[nH]c(C2CCCCC2)nc2c(F)c(Br)c(I)cc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 4/20 0.37
PIM1 P11309 3/20 0.37
CSNK2B P67870 3/20 0.37
CSNK2A1 P68400 3/20 0.37
TMIGD3 P0DMS9 1/20 0.35
ADORA1 P30542 1/20 0.35
TSPO P30536 1/20 0.34
DRD3 P35462 1/20 0.34
HTR2B P41595 1/20 0.34
TMEM97 Q5BJF2 1/20 0.34
MAPK13 O15264 1/20 0.34
RAF1 P04049 1/20 0.34
MAPK9 P45984 1/20 0.34
MAPK12 P53778 1/20 0.34
MAPK11 Q15759 1/20 0.34
MAPK14 Q16539 1/20 0.34
DRD1 P21728 1/20 0.34
DRD5 P21918 1/20 0.34
CCNE1 P24864 1/20 0.34
CDK2 P24941 1/20 0.34

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
SCHEMBL25795251 0.96 CDC7 (0.38) CDC7PIM1CSNK2BCSNK2A1TMIGD3
SCHEMBL22600573 0.88 PARP14 (0.41) CDC7PIM1CSNK2BCSNK2A1TMIGD3
SCHEMBL22600551 0.86 PARP1 (0.44) CDC7PIM1CSNK2BCSNK2A1TMIGD3
SCHEMBL22600702 0.84 TMIGD3 (0.38) CDC7PIM1CSNK2BCSNK2A1TMIGD3
SCHEMBL22600592 0.84 PARP14 (0.38) CDC7PIM1CSNK2BCSNK2A1TMIGD3
SCHEMBL24378773 0.82 PARP1 (0.44) MAPT
SCHEMBL24378849 0.82 PARP1 (0.41) CDC7PIM1CSNK2BCSNK2A1TMIGD3
SCHEMBL22600701 0.75 NPC1 (0.32) NPC1RAB9A
SCHEMBL22600737 0.73 PARP1 (0.41) CDC7PIM1CSNK2BCSNK2A1TMIGD3
SCHEMBL22101758 0.72 CDC7 (0.47) CDC7PIM1CSNK2BCSNK2A1TMIGD3

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 CDC7 765/4885PIM1 1919/4885CSNK2B 407/4885

“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.