SCHEMBL3736757

SCHEMBL3736757

Nc1c(-c2nc3ccccc3[nH]2)cnc2cc(-c3cccs3)ccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.53
HPGD P15428 10/20 0.53
SMN1; SMN2 Q16637 10/20 0.53
NPC1 O15118 9/20 0.53
RAB9A P51151 9/20 0.53
HSD17B10 Q99714 8/20 0.53
KDM4E B2RXH2 8/20 0.53
CDK1 P06493 2/20 0.46
CDK2 P24941 2/20 0.46
MKNK1 Q9BUB5 2/20 0.46
MKNK2 Q9HBH9 2/20 0.46
PDPK1 O15530 1/20 0.46
MAPT P10636 8/20 0.46
TP53 P04637 5/20 0.46
GLA P06280 3/20 0.46
TDP1 Q9NUW8 3/20 0.46
GAA P10253 2/20 0.46
ALOX15 P16050 3/20 0.44
NPSR1 Q6W5P4 2/20 0.44
USP2 O75604 2/20 0.44

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
SCHEMBL6382926 0.92 HPGD (0.47) ALDH1A1HPGDSMN1; SMN2NPC1RAB9A
SCHEMBL3738156 0.83 CDK1 (0.46) ALDH1A1HPGDSMN1; SMN2NPC1RAB9A
SCHEMBL1052507 0.81 HPGD (0.61) ALDH1A1HPGDSMN1; SMN2NPC1RAB9A
SCHEMBL3738781 0.78 SMN1; SMN2 (0.52) ALDH1A1HPGDSMN1; SMN2NPC1RAB9A
SCHEMBL3727870 0.78 ADORA3 (0.50) ALDH1A1HPGDSMN1; SMN2NPC1RAB9A
SCHEMBL3741834 0.78 PTGES (0.55) ALDH1A1HPGDSMN1; SMN2NPC1RAB9A
SCHEMBL4283724 0.76 FGFR1 (0.64) ALDH1A1HPGDSMN1; SMN2NPC1RAB9A
SCHEMBL3745620 0.74 PDGFRB (0.43) ALDH1A1HPGDSMN1; SMN2NPC1RAB9A
SCHEMBL27502881 0.74 NPC1 (0.52) ALDH1A1HPGDSMN1; SMN2NPC1RAB9A
SCHEMBL3728503 0.73 FGFR1 (0.56) ALDH1A1HPGDSMN1; SMN2NPC1RAB9A

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 ALDH1A1 3296/4885HPGD 3412/4885SMN1; SMN2 1651/4885
US-20050261307-A1 Inhibition of FGFR3 and treatment of multiple myeloma FGFR3, FGFR1, FGFR2 ALDH1A1 3003/4885HPGD 3669/4885SMN1; SMN2 1216/4885
US-20050203101-A1 Benzimidazole quinolinones and uses thereof H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, TP53, PBRM1 ALDH1A1 1196/4885HPGD 4195/4885SMN1; SMN2 976/4885

“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.