SCHEMBL4490582

SCHEMBL4490582

CCOc1cc2c(=O)[nH]cnc2cc1O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 8/20 0.49
CHEK1 O14757 2/20 0.45
PIM1 P11309 2/20 0.45
RPS6KA3 P51812 1/20 0.45
SLC2A1 P11166 1/20 0.44
GUSB P08236 1/20 0.43
IP6K1 Q92551 3/20 0.42
ALDH1A1 P00352 1/20 0.42
BCL2 P10415 1/20 0.42
MCL1 Q07820 1/20 0.42
AKT1 P31749 1/20 0.42
FLT3 P36888 1/20 0.42
PIM3 Q86V86 1/20 0.42
MKNK1 Q9BUB5 1/20 0.41
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
ATM Q13315 1/20 0.40
ACVR1 Q04771 1/20 0.40

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
SCHEMBL3240833 0.94 PARP1 (0.49) PARP1CHEK1PIM1RPS6KA3SLC2A1
SCHEMBL1011012 0.88 PARP1 (0.50) PARP1CHEK1PIM1RPS6KA3SLC2A1
SCHEMBL298221 0.85 PARP1 (0.51) PARP1CHEK1PIM1RPS6KA3SLC2A1
SCHEMBL13090419 0.84 PARP1 (0.50) PARP1CHEK1PIM1RPS6KA3SLC2A1
SCHEMBL1014333 0.82 SRC (0.55) PARP1CHEK1PIM1RPS6KA3IP6K1
SCHEMBL1012421 0.82 SRC (0.55) PARP1CHEK1PIM1RPS6KA3IP6K1
SCHEMBL27576840 0.81 SLC2A1 (0.50) PARP1CHEK1PIM1RPS6KA3SLC2A1
SCHEMBL4018251 0.81 PARP1 (0.48) PARP1CHEK1PIM1RPS6KA3SLC2A1
SCHEMBL3231833 0.81 SLC2A1 (0.47) PARP1CHEK1PIM1RPS6KA3SLC2A1
SCHEMBL18655504 0.81 PARP1 (0.50) PARP1CHEK1PIM1RPS6KA3SLC2A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7576090-B2 e.g. N-[2-(6,7-Dimethoxyquinazolin-4-ylamino)benzothiazol-6-yl ]benzamide; multi-target protein kinase, especially epidermal and endothrlial growth factor, inhibitors; antiproliferative, anticarcinogenic agent 4SC AG (DE) 2009-08-18 US disclosed
US-20060142570-A1 Benzazole analogues and uses thereof 4SC AG (DE) 2006-06-29 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 (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-20060142570-A1 Benzazole analogues and uses thereof CYP3A5, CYP3A7, CYP3A43 PARP1 1801/4885CHEK1 1877/4885PIM1 652/4885

“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.