SCHEMBL31029680

SCHEMBL31029680

CC(C)(C)OC(=O)N1CCN(c2ncnc3c(C(F)(F)F)cc(Br)cc23)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIT P10721 3/20 0.51
MAP4K4 O95819 1/20 0.42
HTT P42858 3/20 0.42
TSHR P16473 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
LMNA P02545 2/20 0.42
MAPT P10636 2/20 0.42
PRNP P04156 1/20 0.42
ALOX15 P16050 1/20 0.42
PPARG P37231 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
NR2E3 Q9Y5X4 1/20 0.42
NCOR2 Q9Y618 1/20 0.42
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
GRIA1 P42261 1/20 0.40
KCNH2 Q12809 2/20 0.39
KRAS P01116 2/20 0.39
HSD17B10 Q99714 1/20 0.39
TRPV1 Q8NER1 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
SCHEMBL31029660 0.88 KIT (0.52) KITMAP4K4HTTTSHRNPSR1
SCHEMBL30902158 0.88 KIT (0.52) KITMAP4K4HTTTSHRNPSR1
SCHEMBL24918229 0.86 KIT (0.49) KITMAP4K4HTTTSHRNPSR1
SCHEMBL16647250 0.82 KIT (0.49) KITMAP4K4HTTLMNAMAPT
SCHEMBL2416854 0.81 MEN1 (0.46) KITTRPV1GPR119ALK
SCHEMBL30394316 0.81 MEN1 (0.46) KITTRPV1GPR119ALK
SCHEMBL16647196 0.80 KIT (0.52) KITMAP4K4HTTLMNAMAPT
SCHEMBL30902259 0.79 HTT (0.61) KITMAP4K4HTTNPSR1PDGFRB
SCHEMBL2798395 0.79 HTT (0.61) KITMAP4K4HTTNPSR1PDGFRB
SCHEMBL16636962 0.79 KIT (0.50) KITMAP4K4HTTLMNAMAPT

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 253/4885HTT 4112/4885

“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.