SCHEMBL24854255

SCHEMBL24854255

CC(C)(C)N1CC2(CCN(CCC#N)CC2)C1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
PKM P14618 1/20 0.48
POLB P06746 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.42
GAA P10253 5/20 0.38
MAPT P10636 3/20 0.38
TSHR P16473 3/20 0.38
HSD17B10 Q99714 1/20 0.38
LMNA P02545 2/20 0.36
KMT2A Q03164 1/20 0.36
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
ALOX15 P16050 1/20 0.34
TP53 P04637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
MAPK1 P28482 1/20 0.32
JAK1 P23458 2/20 0.32
JAK2 O60674 1/20 0.32

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
SCHEMBL19504424 0.84 ALDH1A1 (0.43) ALDH1A1PKMPOLBSMN1; SMN2GAA
SCHEMBL23588708 0.82 ALDH1A1 (0.56) ALDH1A1PKMPOLBSMN1; SMN2GAA
SCHEMBL10294020 0.78 ALDH1A1 (0.67) ALDH1A1PKMPOLBSMN1; SMN2GAA
SCHEMBL24854834 0.77 ALDH1A1 (0.48) ALDH1A1PKMPOLBSMN1; SMN2GAA
SCHEMBL24854833 0.75 S1PR1 (0.43) CYP1A2CYP2D6ALOX15
SCHEMBL21472213 0.75 HSD11B1 (0.34) CYP1A2CYP2D6ALOX15
SCHEMBL19498075 0.74 TSHR (0.42) ALDH1A1GAATSHR
SCHEMBL18416947 0.74 ALDH1A1 (0.54) ALDH1A1PKMPOLBSMN1; SMN2GAA
SCHEMBL27027463 0.73 KCNH2 (0.32) ALDH1A1SMN1; SMN2CYP1A2CYP2D6ALOX15
SCHEMBL18459002 0.72 ALDH1A1 (0.47) ALDH1A1PKMPOLBSMN1; SMN2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230002382-A1 SPIRO RING-CONTAINING QUINAZOLINE COMPOUNDS Wigen Biomedicine Technology (shanghai) Co., Ltd. (CN) 2023-01-05 US 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-20230002382-A1 SPIRO RING-CONTAINING QUINAZOLINE COMPOUNDS KRAS, NRAS, HRAS ALDH1A1 2597/4885PKM 3383/4885POLB 4149/4885

“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.