SCHEMBL3728484

SCHEMBL3728484

O=c1ccc2ccccc2n1NCc1ccccn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.43
KDM4E B2RXH2 2/20 0.43
NPC1 O15118 1/20 0.43
TP53 P04637 1/20 0.43
HPGD P15428 1/20 0.43
HTT P42858 1/20 0.43
RAB9A P51151 1/20 0.43
HSD17B10 Q99714 1/20 0.43
ALDH1A1 P00352 1/20 0.42
NTRK1 P04629 6/20 0.41
NTRK3 Q16288 4/20 0.41
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.39
CA12 O43570 1/20 0.39
BRD4 O60885 1/20 0.39
BRPF1 P55201 1/20 0.39
CA9 Q16790 1/20 0.39
KAT2B Q92831 1/20 0.39
BRD9 Q9H8M2 1/20 0.39

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
SCHEMBL3731044 0.86 HRH3 (0.49) NPC1RAB9AHSD17B10ALDH1A1NTRK3
SCHEMBL1054259 0.85 NTRK1 (0.42) SMN1; SMN2NPC1TP53HPGDRAB9A
SCHEMBL3732232 0.84 APP (0.43) SMN1; SMN2NPC1RAB9AHSD17B10ALDH1A1
SCHEMBL3735606 0.78 ALDH1A1 (0.40) SMN1; SMN2HTTHSD17B10ALDH1A1NTRK1
SCHEMBL1055564 0.77 NTRK1 (0.44) NPC1TP53RAB9AALDH1A1NTRK1
SCHEMBL3726581 0.75 IDO1 (0.45) SMN1; SMN2KDM4EHPGDRAB9AHSD17B10
SCHEMBL3737684 0.75 CA12 (0.53) SMN1; SMN2KDM4ETP53HPGDHTT
SCHEMBL20547078 0.75 GABRA5 (0.50) ALDH1A1NTRK1NTRK3CA12BRD4
SCHEMBL3733770 0.75 CA12 (0.42) SMN1; SMN2KDM4ENPC1TP53HPGD
SCHEMBL3501672 0.71 ALDH1A1 (0.60) SMN1; SMN2KDM4ENPC1RAB9AHSD17B10

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-7825132-B2 Inhibition of FGFR3 and treatment of multiple myeloma NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2010-11-02 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 (3 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 SMN1; SMN2 1651/4885KDM4E 2750/4885NPC1 3334/4885
US-20050261307-A1 Inhibition of FGFR3 and treatment of multiple myeloma FGFR3, FGFR1, FGFR2 SMN1; SMN2 1216/4885KDM4E 3240/4885NPC1 4217/4885
US-20050203101-A1 Benzimidazole quinolinones and uses thereof H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, TP53, PBRM1 SMN1; SMN2 976/4885KDM4E 1820/4885NPC1 2490/4885

“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.