SCHEMBL18332224

SCHEMBL18332224

Cc1cc(Oc2cc(Cl)ccc2Cl)ncc1NN

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ CYP1A2 P05177 2/20 0.38
▸ CYP2C19 P33261 2/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ KDM4E B2RXH2 2/20 0.37
▸ POLB P06746 1/20 0.37
▸ GPBAR1 Q8TDU6 4/20 0.37
▸ LMNA P02545 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ SLC6A4 P31645 3/20 0.35
▸ HTR2A P28223 1/20 0.35
▸ KCNH2 Q12809 1/20 0.35
▸ SCN9A Q15858 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.34
▸ SLC6A2 P23975 2/20 0.34
▸ PTGS1 P23219 1/20 0.33
▸ PTGS2 P35354 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
SCHEMBL18331938 0.88 TRPA1 (0.38) MEN1HTTKMT2AKDM4EPOLB
SCHEMBL18331722 0.85 KMT2A (0.45) MEN1HTTKMT2AKDM4EPOLB
SCHEMBL18331939 0.78 CYP1A2 (0.47) MEN1HTTKMT2ACYP1A2CYP2C19
SCHEMBL18332225 0.78 MEN1 (0.39) MEN1KMT2ACYP2C9SLC6A4HTR2A
SCHEMBL18331935 0.77 SMN1; SMN2 (0.49) MEN1HTTKMT2ACYP1A2CYP2C19
SCHEMBL18330595 0.75 MEN1 (0.52) MEN1HTTKMT2ALMNAALDH1A1
SCHEMBL21970425 0.74 KEAP1 (0.37) MEN1HTTKMT2ALMNASLC6A4
SCHEMBL20084126 0.73 KEAP1 (0.42) MEN1KMT2ACYP1A2CYP2C19CYP3A4
SCHEMBL18331937 0.73 ORAI1 (0.39) CYP1A2CYP2C19KDM4ELMNASLC6A4
SCHEMBL16792742 0.73 LOXL2 (0.42) MEN1HTTKMT2ACYP1A2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10479780-B2 Aminopyrazole derivatives CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2019-11-19 — — US disclosed
WO-2016204261-A1 AMINOPYRAZOLE DERIVATIVES 中外製薬株式会社 2016-12-22 — — 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 (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-10479780-B2 Aminopyrazole derivatives SRC, GRK2, GRK3 MEN1 3006/4885HTT 2294/4885KMT2A 1100/4885

“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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