SCHEMBL1496840

SCHEMBL1496840

CN1CCN(CCCNCc2ccc(C(=O)Nc3cscc3NC(=O)OC(C)(C)C)nc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 2/20 0.44
PDCD1 Q15116 8/20 0.42
CD274 Q9NZQ7 8/20 0.42
CSF1R P07333 1/20 0.41
FLT3 P36888 1/20 0.41
FGFR1 P11362 1/20 0.40
ACHE P22303 1/20 0.39
BACE1 P56817 1/20 0.39
MAP3K7 O43318 1/20 0.38
NAMPT P43490 1/20 0.37
HDAC1 Q13547 1/20 0.37
DRD2 P14416 1/20 0.37

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
SCHEMBL1496876 0.95 CSF1R (0.42) ACKR3PDCD1CD274CSF1RFLT3
SCHEMBL1496830 0.94 ACHE (0.45) ACKR3PDCD1CD274ACHEBACE1
SCHEMBL3218971 0.92 PDCD1 (0.46) ACKR3PDCD1CD274CSF1RFLT3
SCHEMBL1482729 0.92 ALDH1A1 (0.44) ACKR3PDCD1CD274
SCHEMBL1497450 0.89 CD274 (0.43) ACKR3PDCD1CD274DRD2
SCHEMBL1496999 0.89 KMT2A (0.44) ACKR3PDCD1CD274ACHEBACE1
SCHEMBL3225036 0.87 PDCD1 (0.46) PDCD1CD274CSF1RFLT3HDAC1
SCHEMBL1497451 0.86 CD274 (0.47) PDCD1CD274NAMPTHDAC1
SCHEMBL3229584 0.86 PDCD1 (0.47) ACKR3PDCD1CD274ACHEBACE1
SCHEMBL13585490 0.84 PDCD1 (0.45) ACKR3PDCD1CD274CSF1RFLT3

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 9 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
US-8198271-B2 Thiophenediamine derivative having urea structure SANTEN PHARMACEUTICAL CO., LTD. (JP) 2012-06-12 US disclosed
US-20110077244-A1 NOVEL THIOPHENEDIAMINE DERIVATIVE HAVING UREA STRUCTURE SANTEN PHARMACEUTICAL CO., LTD. (JP) 2011-03-31 US 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 (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-20120202808-A1 NOVEL THIOPHENEDIAMINE DERIVATIVE HAVING UREA STRUCTURE CBR1, NAT1, PRMT1 ACKR3 579/4885PDCD1 4160/4885CD274 4096/4885
US-20110077244-A1 NOVEL THIOPHENEDIAMINE DERIVATIVE HAVING UREA STRUCTURE HNMT, HRH4, CHRM1 ACKR3 1361/4885PDCD1 4547/4885CD274 4718/4885

“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.