SCHEMBL6457399

SCHEMBL6457399

COc1ccc(NC(=S)NC2CCC(Nc3nccc(N(C)C)n3)CC2)cc1OC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIT P10721 1/20 0.45
PDGFRA P16234 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.43
ALDH1A1 P00352 7/20 0.42
MAPT P10636 5/20 0.42
GAA P10253 3/20 0.42
RAB9A P51151 2/20 0.42
KDM4E B2RXH2 1/20 0.42
NPC1 O15118 1/20 0.42
LMNA P02545 1/20 0.42
KMT2A Q03164 3/20 0.40
POLB P06746 1/20 0.40
ULK1 O75385 1/20 0.40
ULK2 Q8IYT8 1/20 0.40
QPCT Q16769 1/20 0.40
CNR1 P21554 1/20 0.39
KCNH2 Q12809 1/20 0.39
AURKB Q96GD4 1/20 0.39
MCHR1 Q99705 1/20 0.39
ACHE P22303 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
SCHEMBL6457387 1.00 KIT (0.45) KITPDGFRASMN1; SMN2ALDH1A1MAPT
SCHEMBL6459387 0.90 ALDH1A1 (0.42) KITPDGFRASMN1; SMN2ALDH1A1GAA
SCHEMBL6459383 0.90 ALDH1A1 (0.42) KITPDGFRASMN1; SMN2ALDH1A1GAA
SCHEMBL6876727 0.89 SMN1; SMN2 (0.50) KITPDGFRASMN1; SMN2ALDH1A1MAPT
SCHEMBL6876738 0.89 SMN1; SMN2 (0.50) KITPDGFRASMN1; SMN2ALDH1A1MAPT
SCHEMBL6876950 0.85 L3MBTL1 (0.46) SMN1; SMN2ALDH1A1LMNAKMT2ACNR1
SCHEMBL6876961 0.85 L3MBTL1 (0.46) SMN1; SMN2ALDH1A1LMNAKMT2ACNR1
SCHEMBL6463074 0.84 ALDH1A1 (0.48) SMN1; SMN2ALDH1A1MAPTGAARAB9A
SCHEMBL6463067 0.84 ALDH1A1 (0.48) SMN1; SMN2ALDH1A1MAPTGAARAB9A
SCHEMBL6878402 0.83 LMNA (0.56) SMN1; SMN2ALDH1A1MAPTLMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050197350-A1 Novel quinoline, tetrahydroquinazoline, and pyrimidine derivatives and methods of treatment related to the use thereof TAISHO PHARMACEUTICAL CO., LTD. 2005-09-08 US claimed
EP-1464335-A2 Quinoline, tetrahydroquinoline and pyrimidine derivatives as mch antagonist Taisho Pharmaceutical Co. Ltd. (JP) 2004-10-06 EP claimed
US-20050197350-A1 Novel quinoline, tetrahydroquinazoline, and pyrimidine derivatives and methods of treatment related to the use thereof TAISHO PHARMACEUTICAL CO., LTD. 2005-09-08 US disclosed
EP-1464335-A2 Quinoline, tetrahydroquinoline and pyrimidine derivatives as mch antagonist Taisho Pharmaceutical Co. Ltd. (JP) 2004-10-06 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-20050197350-A1 Novel quinoline, tetrahydroquinazoline, and pyrimidine derivatives and methods of treatment related to the use thereof HCRTR2, MCHR1, MCHR2 KIT 400/4885PDGFRA 1600/4885SMN1; SMN2 1477/4885

“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.