Sugi Predict

Sugi Predict / Compounds / SCHEMBL1496982

SCHEMBL1496982

SCHEMBL1496982

CN(C)CCN(Cc1ccc(C(=O)Nc2cscc2N)nc1)C(=O)Nc1ccc2c(c1)CCO2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 1/20 0.47
▸ ROCK2 O75116 5/20 0.40
▸ CHEK1 O14757 5/20 0.35
▸ MAPK14 Q16539 1/20 0.34
▸ PDCD1 Q15116 2/20 0.34
▸ CD274 Q9NZQ7 2/20 0.34
▸ APP P05067 1/20 0.34
▸ BACE1 P56817 1/20 0.34
▸ ROCK1 Q13464 2/20 0.33
▸ HDAC3 O15379 2/20 0.33
▸ HDAC1 Q13547 2/20 0.33
▸ HDAC2 Q92769 2/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CDC42BPA Q5VT25 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ SMN1; SMN2 Q16637 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
SCHEMBL1484237 0.92 RAB9A (0.42) ROCK2PDCD1CD274NPC1MAPT
SCHEMBL1496998 0.88 RAB9A (0.42) ROCK2HDAC1HDAC2NPC1MAPT
SCHEMBL8002465 0.88 ATM (0.44) ATMROCK2CHEK1MAPK14PDCD1
SCHEMBL1497182 0.87 RAB9A (0.41) ROCK2PDCD1CD274NPC1MAPT
SCHEMBL1496994 0.86 TSHR (0.45) ATMROCK2MAPTSMN1; SMN2
SCHEMBL4229293 0.86 ATM (0.50) ATMROCK2CHEK1PDCD1CD274
SCHEMBL7998840 0.85 ROCK2 (0.39) ATMROCK2NPC1MAPTRAB9A
SCHEMBL8004774 0.84 ROCK2 (0.45) ROCK2PDCD1CD274ROCK1HDAC3
SCHEMBL1497123 0.84 GAA (0.46) ROCK2HDAC1HDAC2NPC1MAPT
SCHEMBL1497046 0.83 ROCK2 (0.46) ROCK2BACE1ROCK1HDAC3HDAC1

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
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
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 ATM 1607/4885ROCK2 3193/4885CHEK1 167/4885
US-20110077244-A1 NOVEL THIOPHENEDIAMINE DERIVATIVE HAVING UREA STRUCTURE HNMT, HRH4, CHRM1 ATM 2364/4885ROCK2 4568/4885CHEK1 897/4885

“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.