SCHEMBL4316596

SCHEMBL4316596

O=C(Nc1nncs1)c1ccccc1/C=C/c1n[nH]c2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.51
ALDH1A1 P00352 4/20 0.46
HSD17B10 Q99714 4/20 0.46
HPGD P15428 4/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
MAPK1 P28482 1/20 0.46
KDM4E B2RXH2 2/20 0.44
MEN1 O00255 1/20 0.44
GAA P10253 1/20 0.44
KMT2A Q03164 1/20 0.44
TDP1 Q9NUW8 1/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
ROCK1 Q13464 2/20 0.40
TAAR1 Q96RJ0 1/20 0.40
AQP4 P55087 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
KDR P35968 3/20 0.38
CSNK2A1 P68400 2/20 0.38
BMPR1B O00238 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
SCHEMBL4316604 1.00 TSHR (0.51) TSHRALDH1A1HSD17B10HPGDL3MBTL1
SCHEMBL4313399 0.83 CYP1A2 (0.52) ALDH1A1HPGDL3MBTL1MAPK1KDM4E
SCHEMBL4313388 0.83 CYP1A2 (0.52) ALDH1A1HPGDL3MBTL1MAPK1KDM4E
SCHEMBL4327263 0.81 KDM4E (0.56) ALDH1A1HSD17B10HPGDL3MBTL1MAPK1
SCHEMBL4327272 0.81 KDM4E (0.56) ALDH1A1HSD17B10HPGDL3MBTL1MAPK1
SCHEMBL4308050 0.81 FLT3 (0.58) KDM4ENPC1SMN1; SMN2KDRJAK2
SCHEMBL4308053 0.81 FLT3 (0.58) KDM4ENPC1SMN1; SMN2KDRJAK2
SCHEMBL4329167 0.76 KDM4E (0.40) KDM4EROCK1KDRCSNK2A1BMPR1B
SCHEMBL4329156 0.76 KDM4E (0.40) KDM4EROCK1KDRCSNK2A1BMPR1B
SCHEMBL4311615 0.75 ALDH1A1 (0.51) TSHRALDH1A1HSD17B10HPGDMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7605272-B2 IGF-1R inhibitor KYOWA HAKKO KIRIN CO., LTD. (JP) 2009-10-20 US disclosed
US-20090054508-A1 IGF-1R INHIBITOR KYOWA HAKKO KOGYO CO., LTD. (JP) 2009-02-26 US disclosed
EP-1847532-A1 IGF-1R INHIBITOR KYOWA HAKKO KOGYO CO., LTD. (JP) 2007-10-24 EP 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-20090054508-A1 IGF-1R INHIBITOR IGF1R, IGFBP5, IGFBP1 TSHR 61/4885ALDH1A1 1250/4885HSD17B10 923/4885

“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.