SCHEMBL18056465

SCHEMBL18056465

Cn1cnc2c(C(=O)NNC(=S)Nc3ccc4c(cnn4C(=O)OC(C)(C)C)c3)cccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 1/20 0.46
▸ ITK Q08881 1/20 0.46
▸ ALDH1A1 P00352 7/20 0.40
▸ MAPT P10636 4/20 0.40
▸ RAB9A P51151 3/20 0.40
▸ NPC1 O15118 2/20 0.40
▸ HPGD P15428 2/20 0.40
▸ ALOX12 P18054 1/20 0.40
▸ ROCK2 O75116 3/20 0.39
▸ ROCK1 Q13464 2/20 0.39
▸ CHEK2 O96017 1/20 0.39
▸ PRKACA P17612 1/20 0.39
▸ RPS6KA3 P51812 1/20 0.39
▸ PAK1 Q13153 1/20 0.39
▸ DYRK1A Q13627 1/20 0.39
▸ PRKD2 Q9BZL6 1/20 0.39
▸ EEF2K O00418 1/20 0.39
▸ MAP4K4 O95819 1/20 0.39
▸ CLK2 P49760 1/20 0.39
▸ GSK3B P49841 1/20 0.39

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
SCHEMBL18038106 0.78 EGFR (0.46) EGFRITKALDH1A1MAPTRAB9A
SCHEMBL8174178 0.73 EGFR (0.45) EGFRITKALDH1A1ROCK2ROCK1
SCHEMBL18038185 0.72 ROCK2 (0.40) EGFRITKALDH1A1MAPTRAB9A
SCHEMBL28087712 0.72 EGFR (0.55) EGFRITKMAPTRAB9ANPC1
SCHEMBL18038300 0.70 EGFR (0.42) EGFRITKALDH1A1MAPTRAB9A
SCHEMBL16938553 0.69 ROCK2 (0.52) EGFRITKALDH1A1MAPTRAB9A
SCHEMBL6342427 0.69 EGFR (0.51) EGFRITKALDH1A1MAPTRAB9A
SCHEMBL20139305 0.67 ROCK2 (0.49) EGFRITKRAB9ANPC1ROCK2
SCHEMBL31414297 0.67 ROCK2 (0.49) EGFRITKRAB9ANPC1ROCK2
SCHEMBL6171890 0.66 MEN1 (0.50) EGFRITKALDH1A1RAB9ANPC1

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-20180093978-A1 INDAZOLYL THIADIAZOLAMINES AND RELATED COMPOUNDS FOR INHIBITION OF RHO-ASSOCIATED PROTEIN KINASE AND THE TREATMENT OF DISEASE WILMINGTON TRUST, NATIONAL ASSOCIATION 2018-04-05 — — US disclosed
US-20180093978-A1 INDAZOLYL THIADIAZOLAMINES AND RELATED COMPOUNDS FOR INHIBITION OF RHO-ASSOCIATED PROTEIN KINASE AND THE TREATMENT OF DISEASE WILMINGTON TRUST, NATIONAL ASSOCIATION 2018-04-05 — — US disclosed
WO-2016138335-A1 INDAZOLYL THIADIAZOLAMINES AND RELATED COMPOUNDS FOR INHIBITION OF RHO-ASSOCIATED PROTEIN KINASE AND THE TREATMENT OF DISEASE LYCERA CORPORATION (US) 2016-09-01 — — 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-20180093978-A1 INDAZOLYL THIADIAZOLAMINES AND RELATED COMPOUNDS FOR INHIBITION OF RHO-ASSOCIATED PROTEIN KINASE AND THE TREATMENT OF DISEASE ROCK1, ROCK2, CIT EGFR 3558/4885ITK 591/4885ALDH1A1 3038/4885

“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.

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