SCHEMBL31029643

SCHEMBL31029643

C[C@H]1CN(C(=O)OC(C)(C)C)CCN1c1ncnc2ccc(Cl)nc12

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 2/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
GPR119 Q8TDV5 11/20 0.44
SMARCA2 P51531 1/20 0.42
SMARCA4 P51532 1/20 0.42
PBRM1 Q86U86 1/20 0.42
KRAS P01116 1/20 0.41
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
ABCB1 P08183 1/20 0.40
PIK3CD O00329 1/20 0.39
MET P08581 1/20 0.39

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
SCHEMBL30902192 1.00 MAP4K4 (0.48) MAP4K4MEN1KMT2AGPR119SMARCA2
SCHEMBL30902260 0.84 MAP4K4 (0.62) MAP4K4MEN1KMT2ACNR1CNR2
SCHEMBL31029670 0.84 MAP4K4 (0.62) MAP4K4MEN1KMT2ACNR1CNR2
SCHEMBL30734207 0.78 PIK3CD (0.46) GPR119SMARCA2SMARCA4PBRM1PIK3CD
SCHEMBL30902197 0.78 PIK3CD (0.46) GPR119SMARCA2SMARCA4PBRM1PIK3CD
SCHEMBL28895326 0.78 MEN1 (0.61) MAP4K4MEN1KMT2AGPR119CNR1
SCHEMBL29002882 0.78 MEN1 (0.61) MAP4K4MEN1KMT2AGPR119CNR1
SCHEMBL23640794 0.77 SMARCA2 (0.43) MEN1KMT2AGPR119SMARCA2SMARCA4
SCHEMBL30902201 0.77 MAP4K4 (0.48) MAP4K4MEN1KMT2ACNR1CNR2
SCHEMBL31029618 0.77 MAP4K4 (0.48) MAP4K4MEN1KMT2ACNR1CNR2

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-20250145589-A1 PYRIDINE DERIVATIVE AND USE THEREOF SICHUAN HUIYU PHARMACEUTICAL CO., LTD. (CN) 2025-05-08 US disclosed
EP-4406948-A1 PYRIDINE DERIVATIVE AND USE THEREOF Sichuan Huiyu Pharmaceutical Co., Ltd. (CN) 2024-07-31 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 (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-20250145589-A1 PYRIDINE DERIVATIVE AND USE THEREOF KRAS, NRAS, BRAF MAP4K4 253/4885MEN1 357/4885KMT2A 2353/4885

“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.