SCHEMBL2515535

SCHEMBL2515535

Cc1ccsc1C(=O)Nc1c[c]ccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.59
PKM P14618 3/20 0.56
RAB9A P51151 10/20 0.50
NPC1 O15118 8/20 0.50
PPARG P37231 1/20 0.50
NCOR2 Q9Y618 1/20 0.50
SMN1; SMN2 Q16637 4/20 0.49
HPGD P15428 3/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
MAPT P10636 2/20 0.49
TP53 P04637 1/20 0.49
NFKB1 P19838 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49
LMNA P02545 2/20 0.48
POLB P06746 1/20 0.48
ALDH1A1 P00352 1/20 0.47
GRM1 Q13255 1/20 0.45
PARP1 P09874 1/20 0.43

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
SCHEMBL1389175 0.82 PKM (0.74) NAMPTPKMRAB9ANPC1PPARG
SCHEMBL17664660 0.75 PKM (0.74) NAMPTPKMRAB9ANPC1PPARG
SCHEMBL2519126 0.75 RAB9A (0.70) PKMRAB9ANPC1SMN1; SMN2MEN1
SCHEMBL2522038 0.75 LMNA (0.70) PKMRAB9ANPC1MEN1KMT2A
SCHEMBL883881 0.75 RAB9A (0.65) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL13270385 0.74 NAMPT (1.00) NAMPTPKMRAB9ANPC1PPARG
SCHEMBL30300673 0.73 RAB9A (0.65) NAMPTPKMRAB9ANPC1SMN1; SMN2
SCHEMBL26985992 0.73 NPC1 (0.61) NAMPTRAB9ANPC1SMN1; SMN2MEN1
SCHEMBL26986071 0.72 KMT2A (0.55) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL2531539 0.72 EPHX2 (0.41) RAB9ANPC1SMN1; SMN2HPGDKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8273741-B2 Imidazo-pyridazinyl compounds and uses thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-09-25 US disclosed
US-8044049-B2 Fused heterocyclic derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-10-25 US disclosed
US-8034812-B2 Imidazopyridazine derivative having kinase inhibitory activity and pharmaceutical agent thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-10-11 US disclosed
US-20100273788-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-10-28 US disclosed
US-20100168424-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-07-01 US disclosed
US-20090306374-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-12-10 US disclosed
US-20090137595-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-05-28 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 (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-20100273788-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF KDR, FLT1, FLT4 NAMPT 354/4885PKM 1325/4885RAB9A 855/4885
US-20090137595-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF KDR, FLT1, FLT4 NAMPT 354/4885PKM 1325/4885RAB9A 855/4885
US-20090306374-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF KDR, FLT1, FLT4 NAMPT 354/4885PKM 1325/4885RAB9A 855/4885
US-20100168424-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF KDR, FLT1, FLT4 NAMPT 516/4885PKM 1561/4885RAB9A 724/4885

“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.