SCHEMBL17309199

SCHEMBL17309199

N[C@@H]1CCN(c2cncnn2)C1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ HRH4 Q9H3N8 11/20 0.45
▸ HRH3 Q9Y5N1 2/20 0.41
▸ ROCK2 O75116 1/20 0.40
▸ ROCK1 Q13464 1/20 0.40
▸ CDC42BPB Q9Y5S2 1/20 0.40
▸ KDR P35968 1/20 0.38
▸ PTPN11 Q06124 1/20 0.37
▸ GLS O94925 1/20 0.37
▸ AKT1 P31749 3/20 0.37
▸ MAP4K4 O95819 2/20 0.35

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
SCHEMBL17296021 1.00 HRH4 (0.45) HRH4HRH3ROCK2ROCK1CDC42BPB
SCHEMBL18239409 0.75 KDM4E (0.49) HRH4HRH3ROCK2ROCK1CDC42BPB
SCHEMBL18890299 0.74 HRH4 (0.47) HRH4HRH3PTPN11GLSAKT1
SCHEMBL29544097 0.74 HRH4 (0.47) HRH4HRH3PTPN11GLSAKT1
SCHEMBL15378778 0.73 DPP4 (0.47) HRH4HRH3GLS
SCHEMBL17309195 0.73 DPP4 (0.47) HRH4HRH3GLS
Hydrochloric Acid SCHEMBL18228248 0.73 KDM4E (0.48) HRH4HRH3ROCK2ROCK1CDC42BPB
SCHEMBL15378779 0.73 DPP4 (0.47) HRH4HRH3GLS
Hydrochloric Acid SCHEMBL17295980 0.72 DPP4 (0.46) HRH4HRH3GLS
Hydrochloric Acid SCHEMBL18890084 0.72 DPP4 (0.46) HRH4HRH3GLS

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10294221-B2 1, 3, 4-thiadiazole compounds and their use in treating cancer ASTRAZENECA AB (SE) 2019-05-21 — — US disclosed
US-10294221-B2 1, 3, 4-thiadiazole compounds and their use in treating cancer ASTRAZENECA AB (SE) 2019-05-21 — — US disclosed
US-20180305349-A1 1, 3, 4-Thiadiazole Compounds and Their Use in Treating Cancer CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2018-10-25 — — US disclosed
US-10040788-B2 1,3,4-thiadiazole compounds and their use in treating cancer ASTRAZENECA AB (SE) 2018-08-07 — — US disclosed
US-10040788-B2 1,3,4-thiadiazole compounds and their use in treating cancer ASTRAZENECA AB (SE) 2018-08-07 — — US disclosed
US-10040788-B2 1,3,4-thiadiazole compounds and their use in treating cancer ASTRAZENECA AB (SE) 2018-08-07 — — US disclosed
EP-3148994-B1 1, 3, 4-THIADIAZOLE COMPOUNDS AND THEIR USE IN TREATING CANCER ASTRAZENECA AB (SE) 2018-07-11 — — EP disclosed
EP-3148994-B1 1, 3, 4-THIADIAZOLE COMPOUNDS AND THEIR USE IN TREATING CANCER ASTRAZENECA AB (SE) 2018-07-11 — — EP disclosed
US-20170197954-A1 1,3,4-Thiadiazole compounds and their use in treating cancer ASTRAZENECA AB (SE) 2017-07-13 — — US disclosed
US-20170197954-A1 1,3,4-Thiadiazole compounds and their use in treating cancer ASTRAZENECA AB (SE) 2017-07-13 — — US disclosed
US-20170197954-A1 1,3,4-Thiadiazole compounds and their use in treating cancer ASTRAZENECA AB (SE) 2017-07-13 — — US disclosed
WO-2015181539-A1 1, 3, 4-THIADIAZOLE COMPOUNDS AND THEIR USE IN TREATING CANCER ASTRAZENECA AB (SE) 2015-12-03 — — 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 (4 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-20180305349-A1 1, 3, 4-Thiadiazole Compounds and Their Use in Treating Cancer GLS2, GLS, GSS HRH4 1466/4885HRH3 1980/4885ROCK2 1715/4885
US-10294221-B2 1, 3, 4-thiadiazole compounds and their use in treating cancer GLS2, GLS, GSS HRH4 1466/4885HRH3 1980/4885ROCK2 1715/4885
US-20170197954-A1 1,3,4-Thiadiazole compounds and their use in treating cancer GLS2, GLS, GSS HRH4 1438/4885HRH3 1949/4885ROCK2 1703/4885
US-10040788-B2 1,3,4-thiadiazole compounds and their use in treating cancer GLS2, GLS, GSS HRH4 1438/4885HRH3 1949/4885ROCK2 1703/4885

“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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