SCHEMBL31029604

SCHEMBL31029604

CC(C)(C)OC(=O)N1CCN(c2ncnc3c2CNCC3)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIT P10721 2/20 0.49
MAP4K4 O95819 1/20 0.43
MAPT P10636 4/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
CKS1B P61024 1/20 0.40
SKP1 P63208 1/20 0.40
SKP2 Q13309 1/20 0.40
MEN1 O00255 1/20 0.39
TSHR P16473 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
GPR119 Q8TDV5 6/20 0.39
DDB1 Q16531 1/20 0.38
CRBN Q96SW2 1/20 0.38
SMARCA2 P51531 1/20 0.38
SMARCA4 P51532 1/20 0.38
PBRM1 Q86U86 1/20 0.38

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
SCHEMBL30333389 1.00 KIT (0.49) KITMAP4K4MAPTALDH1A1LMNA
SCHEMBL29697503 0.91 KIT (0.49) KITMAP4K4MAPTALDH1A1LMNA
SCHEMBL21786285 0.87 KIT (0.48) KITMAP4K4MAPTALDH1A1LMNA
SCHEMBL19616882 0.79 KIT (0.48) KITMAP4K4MAPTALDH1A1LMNA
SCHEMBL30311594 0.79 RET (0.49) KITGPR119
SCHEMBL21243934 0.79 KIT (0.48) KITMAP4K4MAPTALDH1A1LMNA
SCHEMBL2572791 0.78 AKT1 (0.50) KITMAP4K4MAPTALDH1A1LMNA
SCHEMBL22307571 0.78 AKT1 (0.54) KITMAP4K4MAPTALDH1A1LMNA
SCHEMBL2796064 0.78 KIT (0.49) KITMAP4K4CNR1CNR2CKS1B
SCHEMBL21591691 0.77 KIT (0.44) KITMAP4K4MAPTCNR1CNR2

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 KIT 1162/4885MAP4K4 253/4885MAPT 3897/4885

“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.