SCHEMBL1496891

SCHEMBL1496891

CCCNC(=O)NC(CCCN1CCN(C)CC1)c1ccc(C(=O)Nc2cscc2NC(=O)OC(C)(C)C)nc1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 1/20 0.38
HRH2 P25021 6/20 0.35
HRH1 P35367 6/20 0.35
ABL1 P00519 1/20 0.34
SRC P12931 1/20 0.34
ACHE P22303 1/20 0.34
BACE1 P56817 1/20 0.34
KMT2A Q03164 1/20 0.34
ACKR3 P25106 1/20 0.34
DRD2 P14416 1/20 0.33
MAP3K7 O43318 1/20 0.33
LMNA P02545 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
SCHEMBL1496856 0.93 CD274 (0.41) KMT2ALMNA
SCHEMBL1496947 0.91 SIGMAR1 (0.41) FGFR1HRH2HRH1KMT2AACKR3
SCHEMBL1496928 0.91 CD274 (0.40) KMT2ALMNA
SCHEMBL1496991 0.89 CSF1R (0.35) FGFR1HRH2HRH1ABL1SRC
SCHEMBL1497039 0.88 CYP1A2 (0.37) KMT2AMAP3K7
SCHEMBL1496924 0.86 SIGMAR1 (0.39) FGFR1HRH2HRH1ACKR3DRD2
SCHEMBL3225998 0.86 CD274 (0.41) KMT2ALMNA
SCHEMBL3223327 0.85 SIGMAR1 (0.43) FGFR1HRH2HRH1ABL1SRC
SCHEMBL1497057 0.84 ACHE (0.38) HRH2HRH1ACHEBACE1
SCHEMBL1497013 0.84 CSF1R (0.36) FGFR1HRH2HRH1ABL1SRC

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-20120202808-A1 NOVEL THIOPHENEDIAMINE DERIVATIVE HAVING UREA STRUCTURE SANTEN PHARMACEUTICAL CO., LTD. (JP) 2012-08-09 US disclosed
EP-2292611-B1 NOVEL THIOPHENEDIAMINE DERIVATIVE HAVING UREA STRUCTURE SANTEN PHARMACEUTICAL CO LTD (JP) 2012-07-25 EP disclosed
EP-2292611-A1 NOVEL THIOPHENEDIAMINE DERIVATIVE HAVING UREA STRUCTURE Santen Pharmaceutical Co., Ltd (JP) 2011-03-09 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-20120202808-A1 NOVEL THIOPHENEDIAMINE DERIVATIVE HAVING UREA STRUCTURE CBR1, NAT1, PRMT1 FGFR1 2502/4885HRH2 68/4885HRH1 33/4885

“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.