SCHEMBL15979261

SCHEMBL15979261

Cc1ccc2nc[nH]c(=O)c2n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 11/20 0.50
CHEK1 O14757 2/20 0.46
PIM1 P11309 2/20 0.46
RPS6KA3 P51812 1/20 0.46
TGFBR1 P36897 2/20 0.44
PDPK1 O15530 2/20 0.43
CA12 O43570 1/20 0.43
ALOX15 P16050 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CA9 Q16790 1/20 0.43
TNKS2 Q9H2K2 1/20 0.43
IP6K1 Q92551 1/20 0.42
AKT1 P31749 1/20 0.42
FLT3 P36888 1/20 0.42
PIM3 Q86V86 1/20 0.42
SLC2A1 P11166 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
CCR1 P32246 1/20 0.40
RAB9A P51151 1/20 0.40
CCR5 P51681 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
SCHEMBL22715650 0.78 CHEK1 (0.50) PARP1CHEK1PIM1RPS6KA3PDPK1
SCHEMBL29434701 0.78 PARP1 (0.50) PARP1CHEK1PIM1RPS6KA3PDPK1
SCHEMBL6833189 0.78 PARP1 (0.50) PARP1CHEK1PIM1PDPK1CA12
SCHEMBL29439694 0.78 CHEK1 (0.50) PARP1CHEK1PIM1RPS6KA3PDPK1
SCHEMBL669572 0.78 PARP1 (0.50) PARP1CHEK1PIM1RPS6KA3PDPK1
SCHEMBL14358306 0.77 ADORA3 (0.46) PARP1CHEK1PIM1RPS6KA3PDPK1
SCHEMBL29631083 0.77 ADORA3 (0.46) PARP1CHEK1PIM1RPS6KA3PDPK1
SCHEMBL18237577 0.77 PARP1 (0.42) PARP1CHEK1PIM1RPS6KA3PDPK1
SCHEMBL2159083 0.74 PARP1 (0.46) PARP1CHEK1PIM1PDPK1CA12
SCHEMBL30436506 0.72 ADORA2A (0.40) PARP1CHEK1PIM1RPS6KA3TGFBR1

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
WO-2023217906-A1 PYRROLIDINONE DERIVATIVES AS INHIBITORS OF NF KAPPA B INDUCING KINASE JANSSEN PHARMACEUTICA NV (BE) 2023-11-16 WO disclosed
US-20140243302-A1 BRIDGED BICYCLIC COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS MERCK SHARP & DOHME CORPORATION (US) 2014-08-28 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-20140243302-A1 BRIDGED BICYCLIC COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS PAICS, SBDS, SORD PARP1 2112/4885CHEK1 1589/4885PIM1 3184/4885

“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.