SCHEMBL1496876

SCHEMBL1496876

CN1CCN(CCNCc2ccc(C(=O)Nc3cscc3NC(=O)OC(C)(C)C)nc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CSF1R P07333 1/20 0.42
FLT3 P36888 1/20 0.42
CD274 Q9NZQ7 8/20 0.41
PDCD1 Q15116 7/20 0.41
NAMPT P43490 1/20 0.38
HDAC1 Q13547 1/20 0.38
SUCNR1 Q9BXA5 1/20 0.38
ABL1 P00519 1/20 0.38
SRC P12931 1/20 0.38
ACKR3 P25106 1/20 0.38
KMT2A Q03164 1/20 0.37
FGFR1 P11362 1/20 0.37
MAPK14 Q16539 1/20 0.36
LMNA P02545 1/20 0.36
DRD2 P14416 1/20 0.36

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
SCHEMBL1496840 0.95 ACKR3 (0.44) CSF1RFLT3CD274PDCD1NAMPT
SCHEMBL1496999 0.94 KMT2A (0.44) CD274PDCD1NAMPTHDAC1SUCNR1
SCHEMBL3225036 0.92 PDCD1 (0.46) CSF1RFLT3CD274PDCD1HDAC1
SCHEMBL1497451 0.91 CD274 (0.47) CD274PDCD1NAMPTHDAC1KMT2A
SCHEMBL1496830 0.89 ACHE (0.45) CD274PDCD1NAMPTHDAC1ACKR3
SCHEMBL3218971 0.87 PDCD1 (0.46) CSF1RFLT3CD274PDCD1HDAC1
SCHEMBL1482729 0.86 ALDH1A1 (0.44) CD274PDCD1ACKR3KMT2A
SCHEMBL1497450 0.85 CD274 (0.43) CD274PDCD1ACKR3KMT2ADRD2
SCHEMBL1483173 0.84 PDCD1 (0.45) CD274PDCD1NAMPTHDAC1
SCHEMBL9915269 0.81 CSF1R (0.38) CSF1RFLT3CD274PDCD1NAMPT

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
US-8288380-B2 Thiophenediamine derivative having urea structure SANTEN PHARMACEUTICAL CO., LTD. (JP) 2012-10-16 US disclosed
US-20120202808-A1 NOVEL THIOPHENEDIAMINE DERIVATIVE HAVING UREA STRUCTURE SANTEN PHARMACEUTICAL CO., LTD. (JP) 2012-08-09 US disclosed
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
EP-2292611-A1 NOVEL THIOPHENEDIAMINE DERIVATIVE HAVING UREA STRUCTURE Santen Pharmaceutical Co., Ltd (JP) 2011-03-09 EP disclosed
WO-2009142321-A1 NOVEL THIOPHENEDIAMINE DERIVATIVE HAVING UREA STRUCTURE 参天製薬株式会社 (JP) 2009-11-26 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 (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 CSF1R 2464/4885FLT3 1337/4885CD274 4096/4885

“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.