SCHEMBL7041687

SCHEMBL7041687

O=c1[nH]c(-c2ccc(Cl)s2)nn1-c1cc(Br)ccc1O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT2 P31751 1/20 0.35
CLK2 P49760 1/20 0.35
DYRK1A Q13627 1/20 0.35
CLK4 Q9HAZ1 1/20 0.35
F10 P00742 1/20 0.33
AURKA O14965 1/20 0.33
JAK2 O60674 1/20 0.33
PAK4 O96013 1/20 0.33
NTRK1 P04629 1/20 0.33
FYN P06241 1/20 0.33
CSF1R P07333 1/20 0.33
RET P07949 1/20 0.33
IGF1R P08069 1/20 0.33
PDGFRB P09619 1/20 0.33
PIM1 P11309 1/20 0.33
FGFR1 P11362 1/20 0.33
PRKACA P17612 1/20 0.33
GRK5 P34947 1/20 0.33
KDR P35968 1/20 0.33
MAP2K2 P36507 1/20 0.33

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
SCHEMBL7039150 0.88 PTGS2 (0.35) F10PTGS1PTGS2ALOX5MEN1
SCHEMBL7040511 0.88 SNCA (0.38) AKT2CLK2DYRK1ACLK4F10
SCHEMBL7039913 0.86 CDK4 (0.33) F10PTGS1PTGS2ALOX5MEN1
SCHEMBL7043739 0.83 AMY1A (0.37) F10PDGFRBPIM1MEN1KMT2A
SCHEMBL7045380 0.81 SNCA (0.36) F10PTGS1PTGS2
SCHEMBL7041085 0.77 MAPK13 (0.36) F10MAPK14PTGS1PTGS2
SCHEMBL7039901 0.77 CNR1 (0.36)
SCHEMBL7039103 0.77 TMIGD3 (0.34) AKT2CLK2DYRK1ACLK4
SCHEMBL3757455 0.76 AKT2 (0.34) AKT2CLK2DYRK1ACLK4F10
SCHEMBL7043479 0.74 CNR1 (0.34) AKT2CLK2DYRK1ACLK4F10

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-6613786-B2 Treating urinary incontinence, asthma, irritable bowel syndrome or male erectile dysfunction BRISTOL-MYERS SQUIBB COMPANY 2003-09-02 US claimed
US-20030144333-A1 Thiophenyl triazol-3-one derivatives as smooth muscle relaxants HEWAWASAM PIYASENA (US) 2003-07-31 US claimed
US-6613786-B2 Treating urinary incontinence, asthma, irritable bowel syndrome or male erectile dysfunction BRISTOL-MYERS SQUIBB COMPANY 2003-09-02 US disclosed
US-20030144333-A1 Thiophenyl triazol-3-one derivatives as smooth muscle relaxants HEWAWASAM PIYASENA (US) 2003-07-31 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-20030144333-A1 Thiophenyl triazol-3-one derivatives as smooth muscle relaxants PDE3A, ADRB2, ADRB3 AKT2 2893/4885CLK2 923/4885DYRK1A 1537/4885

“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.