SCHEMBL3733770

SCHEMBL3733770

O=c1ccc2ccccc2n1Nc1ccccn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.42
BRD4 O60885 1/20 0.42
BRPF1 P55201 1/20 0.42
CA9 Q16790 1/20 0.42
KAT2B Q92831 1/20 0.42
BRD9 Q9H8M2 1/20 0.42
NPC1 O15118 8/20 0.39
RAB9A P51151 8/20 0.39
PKM P14618 1/20 0.39
KDM4E B2RXH2 4/20 0.38
ALDH1A1 P00352 4/20 0.38
TP53 P04637 3/20 0.38
TSHR P16473 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
CDK4 P11802 1/20 0.38
CCNA2 P20248 1/20 0.38
CCND1 P24385 1/20 0.38

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
SCHEMBL3734543 0.84 CA12 (0.39) CA12BRD4BRPF1CA9KAT2B
SCHEMBL3739582 0.76 SLC6A2 (0.59) CA12BRD4BRPF1CA9KAT2B
SCHEMBL3728484 0.75 SMN1; SMN2 (0.43) CA12BRD4BRPF1CA9KAT2B
SCHEMBL9663505 0.73 SLC6A2 (0.55) NPC1RAB9APKMKDM4EALDH1A1
SCHEMBL3731044 0.73 HRH3 (0.49) NPC1RAB9APKMALDH1A1KMT2A
SCHEMBL3263590 0.72 SLC6A2 (0.58) NPC1RAB9APKMKDM4ETP53
SCHEMBL3732232 0.71 APP (0.43) NPC1RAB9AALDH1A1SMN1; SMN2KMT2A
SCHEMBL1052760 0.71 CA12 (0.57) CA12BRD4BRPF1CA9KAT2B
SCHEMBL7102988 0.69 KAT2B (0.46) CA12BRD4BRPF1CA9KAT2B
SCHEMBL3737684 0.68 CA12 (0.53) CA12BRD4BRPF1CA9KAT2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7825132-B2 Inhibition of FGFR3 and treatment of multiple myeloma NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2010-11-02 US disclosed
US-20090281100-A1 Benzimidazole quinolinones and uses thereof BARSANTI PAUL A 2009-11-12 US disclosed
US-7470709-B2 Benzimidazole quinolinones and uses thereof NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2008-12-30 US disclosed
US-20050261307-A1 Inhibition of FGFR3 and treatment of multiple myeloma CHIRON CORPORATION 2005-11-24 US disclosed
US-20050256157-A1 Combination therapy with CHK1 inhibitors CHIRON CORPORATION 2005-11-17 US disclosed
US-20050203101-A1 Benzimidazole quinolinones and uses thereof CHIRON CORPORATION 2005-09-15 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 (4 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-20050256157-A1 Combination therapy with CHK1 inhibitors CHEK1, CHEK2, RAD1 CA12 4506/4885BRD4 1410/4885BRPF1 2413/4885
US-20050261307-A1 Inhibition of FGFR3 and treatment of multiple myeloma FGFR3, FGFR1, FGFR2 CA12 898/4885BRD4 3170/4885BRPF1 3675/4885
US-20090281100-A1 Benzimidazole quinolinones and uses thereof GAA, ALPI, IL4I1 CA12 1203/4885BRD4 697/4885BRPF1 2923/4885
US-20050203101-A1 Benzimidazole quinolinones and uses thereof H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, TP53, PBRM1 CA12 2655/4885BRD4 51/4885BRPF1 3769/4885

“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.