SCHEMBL3599465

SCHEMBL3599465

CN(C)Cc1cccc(N=C=S)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOS1 P29475 1/20 0.57
▸ ALDH1A1 P00352 2/20 0.44
▸ MIF P14174 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ OPRD1 P41143 1/20 0.42
▸ P2RY6 Q15077 2/20 0.40
▸ HPGD P15428 1/20 0.40
▸ MEN1 O00255 2/20 0.39
▸ CYP3A4 P08684 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ MAPT P10636 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ HTR7 P34969 1/20 0.39
▸ PYCR1 P32322 1/20 0.37
▸ GABRA1 P14867 1/20 0.37
▸ GABRB2 P47870 1/20 0.37
▸ CHRNB2 P17787 1/20 0.37
▸ CHRNA4 P43681 1/20 0.37
▸ TAAR1 Q96RJ0 3/20 0.36
▸ TP53 P04637 1/20 0.35

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
SCHEMBL1435119 0.80 GABRA1 (0.48) ALDH1A1MIFOPRD1P2RY6MEN1
SCHEMBL347355 0.80 MIF (0.48) NOS1ALDH1A1MIFTSHROPRD1
SCHEMBL14257317 0.78 P2RY6 (0.61) NOS1ALDH1A1MIFTSHROPRD1
SCHEMBL19129734 0.77 GRIN2D (0.47) NOS1ALDH1A1MIFOPRD1P2RY6
SCHEMBL27300646 0.77 NOS1 (0.53) NOS1MIFP2RY6
SCHEMBL3542545 0.77 NOS1 (0.49) NOS1ALDH1A1MIFTSHROPRD1
SCHEMBL14257215 0.77 NOS1 (0.62) NOS1ALDH1A1TSHRHPGDHTR7
SCHEMBL30574422 0.75 MIF (0.57) ALDH1A1MIFOPRD1P2RY6HPGD
SCHEMBL28361330 0.75 P2RY6 (0.43) NOS1ALDH1A1MIFP2RY6MEN1
SCHEMBL483888 0.74 MIF (0.67) NOS1ALDH1A1MIFP2RY6HPGD

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
EP-1687285-B1 THIAZOLE AND PYRAZOLE DERIVATIVES AS FLT-3 KINASE INHIBITORS NOVARTIS AG (CH) 2014-03-05 — — EP disclosed
US-7795288-B2 Thiazole and pyrazole derivatives as Flt-3 kinase inhibitors NOVARTIS AG (CH) 2010-09-14 — — US disclosed
US-20080076924-A1 Piperazines as P2X7 antagonists ABBOTT LABORATORIES 2008-03-27 — — US disclosed
US-20080076924-A1 Piperazines as P2X7 antagonists ABBOTT LABORATORIES 2008-03-27 — — US disclosed
US-20070167449-A1 Thiazole and pyrazole derivatives as flt-3 kinase inhibitors NOVARTIS PHARMA AG (CH) 2007-07-19 — — US disclosed
EP-1687285-A1 THIAZOLE AND PYRAZOLE DERIVATIVES AS FLT-3 KINASE INHIBITORS Novartis AG (CH) 2006-08-09 — — EP disclosed
WO-2005047273-A1 THIAZOLE AND PYRAZOLE DERIVATIVES AS FLT-3 KINASE INHIBITORS NOVARTIS AG (CH) 2005-05-26 — — WO 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 (2 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-20070167449-A1 Thiazole and pyrazole derivatives as flt-3 kinase inhibitors FLT3, FLT1, FLT4 NOS1 857/4885ALDH1A1 2488/4885MIF 1300/4885
US-20080076924-A1 Piperazines as P2X7 antagonists P2RX7, P2RX1, P2RX2 NOS1 1803/4885ALDH1A1 852/4885MIF 2149/4885

“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.

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