SCHEMBL6773430

SCHEMBL6773430

O=c1[nH]cnc2ccc(-c3nnn[nH]3)cc12

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACVR1 Q04771 8/20 0.53
PARP1 P09874 7/20 0.51
CHEK1 O14757 1/20 0.51
PIM1 P11309 1/20 0.51
AKT1 P31749 1/20 0.51
FLT3 P36888 1/20 0.51
PIM3 Q86V86 1/20 0.51
IP6K1 Q92551 2/20 0.48
IP6K3 Q96PC2 1/20 0.47
SLC2A1 P11166 1/20 0.47
TGFBR1 P36897 1/20 0.45

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
SCHEMBL7661541 0.84 HDAC6 (0.48) ACVR1PARP1CHEK1PIM1AKT1
SCHEMBL8622180 0.81 ACVR1 (0.73) ACVR1PARP1CHEK1PIM1AKT1
SCHEMBL6773423 0.77 ACVR1 (0.33) ACVR1
SCHEMBL6767763 0.77 IP6K1 (0.45) ACVR1PARP1CHEK1PIM1AKT1
SCHEMBL8782182 0.77 ACVR1 (0.57) ACVR1PARP1CHEK1PIM1AKT1
SCHEMBL7980737 0.75 ACVR1 (0.67) ACVR1PARP1CHEK1PIM1AKT1
SCHEMBL13820309 0.74 PARP1 (0.78) ACVR1PARP1CHEK1PIM1AKT1
SCHEMBL11384943 0.72 PARG (0.45) PARP1
SCHEMBL6869415 0.71 ACVR1 (0.63) ACVR1PARP1CHEK1PIM1AKT1
SCHEMBL8782197 0.71 ACVR1 (0.63) ACVR1PARP1CHEK1PIM1AKT1

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
US-6828320-B2 Enzyme inhibitors; anticancer agents SMITHKLINE BEECHAM CORPORATION 2004-12-07 US disclosed
US-20020147214-A1 Heterocyclic compounds NOVARTIS AG (CH) 2002-10-10 US disclosed
US-6391874-B1 ANTICARCINOGENIC AGENTS; SKIN DISORDERS SMITHKLINE BEECHAM CORPORATION 2002-05-21 US disclosed
EP-0912559-A1 FUSED HETEROCYCLIC COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 1999-05-06 EP disclosed
WO-1998002434-A1 FUSED HETEROCYCLIC COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 1998-01-22 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-20020147214-A1 Heterocyclic compounds BRAF, ABL1, CSK ACVR1 3357/4885PARP1 1602/4885CHEK1 73/4885

“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.