SCHEMBL18890299

SCHEMBL18890299

N[C@@H]1CCN(c2cc(Cl)cnn2)C1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HRH4 Q9H3N8 11/20 0.47
▸ MAT2A P31153 1/20 0.45
▸ HRH3 Q9Y5N1 1/20 0.43
▸ PTPN11 Q06124 1/20 0.41
▸ HTR3A P46098 2/20 0.40
▸ GLS O94925 3/20 0.39
▸ HTR3E A5X5Y0 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ HTR3B O95264 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ NFKB1 P19838 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ HTR3D Q70Z44 1/20 0.39
▸ HTR3C Q8WXA8 1/20 0.39
▸ AKT1 P31749 1/20 0.38
▸ PIM1 P11309 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
SCHEMBL29544097 1.00 HRH4 (0.47) HRH4MAT2AHRH3PTPN11HTR3A
SCHEMBL18946019 0.78 HRH4 (0.51) HRH4HRH3GLS
SCHEMBL17309199 0.74 HRH4 (0.45) HRH4HRH3PTPN11GLSAKT1
SCHEMBL17296021 0.74 HRH4 (0.45) HRH4HRH3PTPN11GLSAKT1
SCHEMBL18890300 0.74 GLS (0.52) GLS
SCHEMBL1351813 0.73 PTPN11 (0.47) HRH4MAT2APTPN11HTR3AHTR3E
SCHEMBL1351815 0.73 PTPN11 (0.47) HRH4MAT2APTPN11HTR3AHTR3E
SCHEMBL21336454 0.72 GLS (0.57) GLS
SCHEMBL29543830 0.72 GLS (0.57) GLS
SCHEMBL18890288 0.72 GLS (0.57) GLS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108349967-B 1,3, 4-thiadiazole compounds and their use in the treatment of cancer 阿斯利康(瑞典)有限公司 2022-02-15 — — CN disclosed
EP-3383871-B1 1,3,4-THIADIAZOLE COMPOUNDS AND THEIR USE IN TREATING CANCER ASTRAZENECA AB (SE) 2019-09-11 — — EP disclosed
EP-3383871-B1 1,3,4-THIADIAZOLE COMPOUNDS AND THEIR USE IN TREATING CANCER ASTRAZENECA AB (SE) 2019-09-11 — — EP disclosed
US-9938265-B2 1,3,4-thiadiazole compounds and their use in treating cancer ASTRAZENECA AB (SE) 2018-04-10 — — US disclosed
US-9938265-B2 1,3,4-thiadiazole compounds and their use in treating cancer ASTRAZENECA AB (SE) 2018-04-10 — — US disclosed
US-9938265-B2 1,3,4-thiadiazole compounds and their use in treating cancer ASTRAZENECA AB (SE) 2018-04-10 — — US disclosed
WO-2017093300-A1 1,3,4-THIADIAZOLE COMPOUNDS AND THEIR USE IN TREATING CANCER ASTRAZENECA AB (SE) 2017-06-08 — — WO disclosed
US-20170152254-A1 1,3,4-Thiadiazole Compounds and Their Use in Treating Cancer ASTRAZENECA AB (SE) 2017-06-01 — — US disclosed
US-20170152254-A1 1,3,4-Thiadiazole Compounds and Their Use in Treating Cancer ASTRAZENECA AB (SE) 2017-06-01 — — US disclosed
US-20170152254-A1 1,3,4-Thiadiazole Compounds and Their Use in Treating Cancer ASTRAZENECA AB (SE) 2017-06-01 — — US 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-20170152254-A1 1,3,4-Thiadiazole Compounds and Their Use in Treating Cancer GLS2, GLS, GLUL HRH4 1611/4885MAT2A 812/4885HRH3 1980/4885

“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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