SCHEMBL19786566

SCHEMBL19786566

COC(=O)c1ccn2ncc(C(=O)OC)c2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHB3 P54753 4/20 0.44
KDM4E B2RXH2 5/20 0.44
HSD17B10 Q99714 3/20 0.44
MAPT P10636 2/20 0.44
GAA P10253 2/20 0.44
ALDH1A1 P00352 1/20 0.44
GLA P06280 1/20 0.44
HPGD P15428 1/20 0.44
CASP1 P29466 1/20 0.44
CASP7 P55210 1/20 0.44
ATM Q13315 1/20 0.44
STING1 Q86WV6 1/20 0.43
TSHR P16473 2/20 0.43
ALOX15 P16050 1/20 0.43
PIK3CD O00329 2/20 0.42
PIK3CA P42336 2/20 0.42
LMNA P02545 1/20 0.41
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40

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
SCHEMBL2176212 0.91 NPC1 (0.49) EPHB3KDM4EMAPTGAAALDH1A1
SCHEMBL3643070 0.89 SMN1; SMN2 (0.44) KDM4EHSD17B10MAPTALDH1A1HPGD
SCHEMBL17320982 0.85 EPHB3 (0.56) EPHB3KDM4EHSD17B10MAPTALDH1A1
SCHEMBL15739719 0.85 PIK3CD (0.46) KDM4EHSD17B10MAPTALDH1A1ATM
SCHEMBL3612196 0.85 CA12 (0.46) EPHB3KDM4EMAPTSTING1TSHR
SCHEMBL25336177 0.84 EPHB3 (0.44) EPHB3KDM4EHSD17B10MAPTGAA
SCHEMBL3612887 0.84 EPHB3 (0.61) EPHB3KDM4EMAPTALDH1A1TSHR
SCHEMBL15717897 0.84 KDM4E (0.43) KDM4EHSD17B10GAAALDH1A1HPGD
SCHEMBL21818039 0.84 CYP1A2 (0.45) KDM4EGAAATMSTING1ALOX15
SCHEMBL30204308 0.84 PIK3CD (0.41) EPHB3KDM4EHSD17B10MAPTGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 EPHB3 2911/4885KDM4E 4441/4885HSD17B10 1851/4885
US-20190248786-A1 NOVEL TETRAHYDROPYRAZOLOPYRIDINE COMPOUNDS FOR THE TREATMENT OF INFECTIOUS DISEASES QDPR, HAVCR2, TPMT EPHB3 3119/4885KDM4E 4257/4885HSD17B10 2251/4885

“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.