SCHEMBL19786570

SCHEMBL19786570

N=C(NO)C1CC(=O)N(c2cnn3c2CC(C(=O)Nc2cc(F)c(F)c(F)c2)CC3)C1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ MAPT P10636 2/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ ALDH1A1 P00352 4/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ RXFP1 Q9HBX9 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ CA12 O43570 1/20 0.34
▸ CA1 P00915 1/20 0.34
▸ CA2 P00918 1/20 0.34
▸ CA4 P22748 1/20 0.34
▸ CA6 P23280 1/20 0.34
▸ CA7 P43166 1/20 0.34
▸ CA9 Q16790 1/20 0.34
▸ CA13 Q8N1Q1 1/20 0.34
▸ CA5B Q9Y2D0 1/20 0.34
▸ ROCK2 O75116 1/20 0.34
▸ ROCK1 Q13464 1/20 0.34

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
SCHEMBL19786256 0.89 TSHR (0.40) MEN1KMT2AMAPTMAPK1ALDH1A1
SCHEMBL19786484 0.84 ALDH1A1 (0.34) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL19786472 0.83 TRPV1 (0.33) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL19786414 0.82 KMT2A (0.38) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL19786418 0.79 SHMT2 (0.39) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL19786478 0.78 TP53 (0.36) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL19786255 0.78 GRM5 (0.37) MAPT
SCHEMBL19786411 0.76 BACE1 (0.36) MEN1KMT2AMAPT
SCHEMBL19786446 0.76 MAPT (0.41) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL19786416 0.76 MAPT (0.37) MEN1KMT2AMAPTKDM4E

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
CN-109476659-B Novel tetrahydropyrazolopyridine compounds for the treatment of infectious diseases 豪夫迈·罗氏有限公司 2021-07-09 — — CN disclosed
US-10781206-B2 Tetrahydropyrazolopyridine compounds for the treatment of infectious diseases HOFFMANN LA-ROCHE INC. (US) 2020-09-22 — — US disclosed
US-10781206-B2 Tetrahydropyrazolopyridine compounds for the treatment of infectious diseases HOFFMANN LA-ROCHE INC. (US) 2020-09-22 — — US disclosed
EP-3484883-B1 NOVEL TETRAHYDROPYRAZOLOPYRIDINE COMPOUNDS FOR THE TREATMENT OF INFECTIOUS DISEASES HOFFMANN LA ROCHE (CH) 2020-04-15 — — EP disclosed
EP-3484883-B1 NOVEL TETRAHYDROPYRAZOLOPYRIDINE COMPOUNDS FOR THE TREATMENT OF INFECTIOUS DISEASES HOFFMANN LA ROCHE (CH) 2020-04-15 — — EP disclosed
US-20190248786-A1 NOVEL TETRAHYDROPYRAZOLOPYRIDINE COMPOUNDS FOR THE TREATMENT OF INFECTIOUS DISEASES HOFFMANN-LA ROCHE INC. (US) 2019-08-15 — — US disclosed
WO-2018011100-A1 NOVEL TETRAHYDROPYRAZOLOPYRIDINE COMPOUNDS FOR THE TREATMENT OF INFECTIOUS DISEASES F. HOFFMANN-LA ROCHE AG (CH) 2018-01-18 — — 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-10781206-B2 Tetrahydropyrazolopyridine compounds for the treatment of infectious diseases QDPR, TPMT, CYP3A5 MEN1 1079/4885KMT2A 4456/4885MAPT 2652/4885
US-20190248786-A1 NOVEL TETRAHYDROPYRAZOLOPYRIDINE COMPOUNDS FOR THE TREATMENT OF INFECTIOUS DISEASES QDPR, HAVCR2, TPMT MEN1 2096/4885KMT2A 4507/4885MAPT 2683/4885

“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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