SCHEMBL4490637

SCHEMBL4490637

O=C(Nc1n[nH]c2sc(C(=O)Nc3ccccc3N3CCOCC3)cc12)c1cccc(F)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.55
NPSR1 Q6W5P4 3/20 0.55
MAPT P10636 3/20 0.55
KDM4E B2RXH2 3/20 0.55
LMNA P02545 3/20 0.55
SMN1; SMN2 Q16637 4/20 0.54
MAPK1 P28482 1/20 0.54
SCN9A Q15858 2/20 0.52
KMT2A Q03164 3/20 0.51
MEN1 O00255 2/20 0.51
ALDH1A1 P00352 5/20 0.50
NPC1 O15118 3/20 0.50
RAB9A P51151 2/20 0.50
POLB P06746 2/20 0.50
HTT P42858 2/20 0.50
HPGD P15428 2/20 0.50
NFKB1 P19838 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50
ATM Q13315 1/20 0.49

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
SCHEMBL2413199 0.87 SMN1; SMN2 (0.55) TSHRMAPTKDM4ELMNASMN1; SMN2
SCHEMBL2421082 0.83 RAB9A (0.51) TSHRMAPTSMN1; SMN2MAPK1KMT2A
SCHEMBL2410820 0.82 USP2 (0.48) TSHRNPSR1MAPTSMN1; SMN2MAPK1
SCHEMBL2416174 0.79 THRB (0.44) TSHRMAPTLMNASMN1; SMN2MAPK1
SCHEMBL2417220 0.79 MAPT (0.49) MAPTLMNASMN1; SMN2KMT2AMEN1
SCHEMBL2408560 0.78 MEN1 (0.51) TSHRMAPTKDM4ESMN1; SMN2KMT2A
SCHEMBL2415990 0.78 AURKA (0.57) TSHRMAPTSMN1; SMN2KMT2ANPC1
SCHEMBL2421150 0.77 AURKA (0.64)
SCHEMBL4632667 0.77 KMO (0.51) MAPTSMN1; SMN2RAB9AHTT
SCHEMBL4631748 0.77 AURKA (0.47) TSHRMAPTKDM4ELMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7541378-B2 Condensed heterocyclic pyrazole derivatives as kinase inhibitors PFIZER ITALIA S.R.L. (IT) 2009-06-02 US disclosed
US-20060122249-A1 Condensed heterocyclic pyrazole derivatives as kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2006-06-08 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 (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-20060122249-A1 Condensed heterocyclic pyrazole derivatives as kinase inhibitors CDK2, MAP3K19, MAP3K15 TSHR 3263/4885NPSR1 4213/4885MAPT 2293/4885

“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.