SCHEMBL5151795

SCHEMBL5151795

N#Cc1cnn2c1NCCC2

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 7/20 0.38
CYP11B2 P19099 7/20 0.38
PKM P14618 1/20 0.38
POLB P06746 1/20 0.34
HTT P42858 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
CDK2 P24941 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 1/20 0.33
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.31
KMT2A Q03164 1/20 0.31
ROCK2 O75116 2/20 0.31
ROCK1 Q13464 2/20 0.31
CDC42BPB Q9Y5S2 2/20 0.31
CDC42BPA Q5VT25 1/20 0.31

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
SCHEMBL1800727 0.73 CCNT1 (0.30)
SCHEMBL27048276 0.73 CCNT1 (0.30)
SCHEMBL17869465 0.73 CHRNB2 (0.31)
Hydrochloric Acid SCHEMBL8156603 0.71
SCHEMBL19431925 0.70 CYP11B2 (0.66) CYP11B1CYP11B2
SCHEMBL12265082 0.69 SSTR4 (0.32)
SCHEMBL29649416 0.68 CYP11B1 (0.50) CYP11B1CYP11B2PKMPOLBHTT
SCHEMBL9869341 0.68 POLB (0.38) POLBKDM4EALDH1A1KMT2A
SCHEMBL25274344 0.67 CCNT1 (0.32)
SCHEMBL30229307 0.67 PARP1 (0.36) CYP11B1CYP11B2PKMPOLBHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240025924-A1 HETEROCYCLE SUBSTITUTED KETONE DERIVATIVE, AND COMPOSITION AND MEDICINAL USE THEREOF SHANGHAI HAIYAN PHARMACEUTICAL TECHNOLOGY CO., LTD. (CN) 2024-01-25 US disclosed
US-20240025924-A1 HETEROCYCLE SUBSTITUTED KETONE DERIVATIVE, AND COMPOSITION AND MEDICINAL USE THEREOF SHANGHAI HAIYAN PHARMACEUTICAL TECHNOLOGY CO., LTD. (CN) 2024-01-25 US disclosed
US-9844553-B2 Pyrazolopyridyl compounds as aldosterone synthase inhibitors MERCK SHARP & DOHME CORP. (US) 2017-12-19 US disclosed
US-20170020879-A1 PYRAZOLOPYRIDYL COMPOUNDS AS ALDOSTERONE SYNTHASE INHIBITORS MERCK SHARP & DOHME LLC 2017-01-26 US disclosed
US-7179801-B2 Cephem compounds ASTELLAS PHARMA INC. (JP) 2007-02-20 US disclosed
EP-1392704-B1 CEPHEM COMPOUNDS ASTELLAS PHARMA INC (JP) 2006-02-22 EP disclosed
US-20040248875-A1 Cephem compounds ASTELLAS PHARMA INC. (JP) 2004-12-09 US disclosed
EP-1392704-A1 CEPHEM COMPOUNDS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-03-03 EP disclosed
WO-2002090364-A1 CEPHEM COMPOUNDS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-11-14 WO disclosed
US-4847256-A HYPOTENSIVE AGENTS AMERICAN CYANAMID COMPANY (US) 1989-07-11 US disclosed
EP-0264773-A1 4,5-dihydro and 4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidines AMERICAN CYANAMID COMPANY (US) 1988-04-27 EP 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 (3 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-20240025924-A1 HETEROCYCLE SUBSTITUTED KETONE DERIVATIVE, AND COMPOSITION AND MEDICINAL USE THEREOF BCKDK, CYP11B2, HSD17B7 CYP11B1 4/4885CYP11B2 2/4885PKM 18/4885
US-20170020879-A1 PYRAZOLOPYRIDYL COMPOUNDS AS ALDOSTERONE SYNTHASE INHIBITORS CYP21A2, CYP11B2, CYP11B1 CYP11B1 3/4885CYP11B2 2/4885PKM 297/4885
US-20040248875-A1 Cephem compounds CEP170, C1S, SLC7A1 CYP11B1 418/4885CYP11B2 443/4885PKM 1915/4885

“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.