SCHEMBL29045758

SCHEMBL29045758

CN(C)CC1CCN(c2ccc([N+](=O)[O-])cc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.55
▸ KMT2A Q03164 2/20 0.55
▸ SIRT6 Q8N6T7 2/20 0.55
▸ MAPT P10636 8/20 0.54
▸ HRH3 Q9Y5N1 1/20 0.54
▸ LMNA P02545 2/20 0.54
▸ ALDH1A1 P00352 5/20 0.53
▸ POLB P06746 1/20 0.51
▸ ADRB1 P08588 1/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ MAPK1 P28482 1/20 0.47

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
SCHEMBL3440277 0.86 MEN1 (0.56) MEN1KMT2ASIRT6MAPTHRH3
SCHEMBL10118638 0.86 MEN1 (0.53) MEN1KMT2ASIRT6MAPTHRH3
SCHEMBL7293302 0.85 SIRT6 (0.52) MEN1KMT2ASIRT6MAPTHRH3
SCHEMBL3441322 0.84 MAPT (0.50) MEN1KMT2AMAPTLMNAALDH1A1
SCHEMBL7300716 0.82 MEN1 (0.50) MEN1KMT2ASIRT6MAPTHRH3
SCHEMBL21245530 0.81 MAPT (0.60) MEN1KMT2AMAPTHRH3POLB
SCHEMBL25189631 0.81 MEN1 (0.60) MEN1KMT2ASIRT6MAPTHRH3
SCHEMBL27832 0.81 SIRT6 (0.59) MEN1KMT2ASIRT6MAPTHRH3
SCHEMBL3440216 0.81 MAPT (0.59) MEN1KMT2ASIRT6MAPTLMNA
SCHEMBL30981311 0.80 MAPT (0.58) MEN1KMT2ASIRT6MAPTHRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112142748-B Pyrazolopyrimidine compound, and preparation method and application thereof 上海医药集团股份有限公司 2023-07-04 — — CN disclosed
US-20220324868-A1 Pyrazolone-Fused Pyrimidine Compound, and Preparation Method and Use Therefor SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. (CN) 2022-10-13 — — US disclosed
EP-4008719-A2 PYRAZOLONE AND PYRIMIDINE COMPOUND, AND PREPARATION METHOD AND USE THEREFOR Shanghai Pharmaceuticals Holding Co., Ltd. (CN) 2022-06-08 — — EP disclosed
CN-112142748-A Pyrazolone pyrimidine compound, preparation method and application thereof 上海医药集团股份有限公司 2020-12-29 — — CN 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-20220324868-A1 Pyrazolone-Fused Pyrimidine Compound, and Preparation Method and Use Therefor WEE1, WEE2, WASF2 MEN1 1281/4885KMT2A 2683/4885SIRT6 1389/4885

“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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