SCHEMBL21087607

SCHEMBL21087607

O=[N+]([O-])c1cnn(C2CCNCC2)c1Cl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 4/20 0.39
MAPT P10636 3/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
ALOX15 P16050 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CYP2C9 P11712 2/20 0.36
CYP3A4 P08684 1/20 0.36
PRKCQ Q04759 1/20 0.36
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35
HTT P42858 1/20 0.35
CHRNB2 P17787 3/20 0.34
CHRNA4 P43681 3/20 0.34
BPTF Q12830 2/20 0.33
GSR P00390 1/20 0.33

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
Hydrochloric Acid SCHEMBL22518632 0.99 PKM (0.38) PKMMAPTMEN1ALDH1A1ALOX15
SCHEMBL2517797 0.89 PKM (0.39) PKMMEN1ALDH1A1KMT2ATDP1
SCHEMBL31319707 0.86 PKM (0.38) PKMMEN1KMT2AGSRTXNRD1
SCHEMBL4560602 0.84 PDE1C (0.40) PKMMAPTALDH1A1CYP2C9CYP1A2
SCHEMBL21850281 0.83 BPTF (0.36) PKMCYP3A4HTR2AHTR2CHTR2B
SCHEMBL30996621 0.82 NR3C1 (0.37) PKMMAPTMEN1ALDH1A1KMT2A
SCHEMBL17610427 0.82 CHRNB2 (0.41) PKMMAPTMEN1ALDH1A1ALOX15
SCHEMBL30996617 0.81 PKM (0.35) PKMMEN1KMT2ATDP1GSR
SCHEMBL16985365 0.80 PKM (0.40) PKMMAPTMEN1ALDH1A1KMT2A
SCHEMBL30996600 0.79 PKM (0.33) PKMMAPTGSRTXNRD1NR3C1

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
EP-3722298-B1 PYRROLO(PYRAZOLO)PYRIMIDINE DERIVATIVE AS LRRK2 INHIBITOR OSCOTEC INC (KR) 2023-08-02 EP disclosed
US-11370796-B2 Substituted pyrazoles as LRRK2 inhibitors OSCOTEC INC. (KR) 2022-06-28 US disclosed
US-20210363144-A1 PYRROLO(PYRAZOLO)PYRIMIDINE DERIVATIVE AS LRRK2 INHIBITOR OSCOTEC INC. (KR) 2021-11-25 US disclosed
EP-3722298-A1 PYRROLO(PYRAZOLO)PYRIMIDINE DERIVATIVE AS LRRK2 INHIBITOR Oscotec Inc. (KR) 2020-10-14 EP disclosed
EP-3099695-B1 COMPOUNDS GLAXOSMITHKLINE IP DEV LTD (GB) 2020-04-08 EP disclosed
WO-2019112269-A1 PYRROLO(PYRAZOLO)PYRIMIDINE DERIVATIVE AS LRRK2 INHIBITOR 주식회사 오스코텍 2019-06-13 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-20210363144-A1 PYRROLO(PYRAZOLO)PYRIMIDINE DERIVATIVE AS LRRK2 INHIBITOR LRRK2, PARK7, WEE1 PKM 146/4885MAPT 12/4885MEN1 3006/4885
US-11370796-B2 Substituted pyrazoles as LRRK2 inhibitors LRRK2, PARK7, PAK3 PKM 137/4885MAPT 17/4885MEN1 2836/4885

“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.