SCHEMBL26328680

SCHEMBL26328680

CC(=O)Cn1cc(C(C)C)nn1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 10/20 0.38
TSHR P16473 2/20 0.35
MEN1 O00255 1/20 0.35
MAPK1 P28482 1/20 0.35
KMT2A Q03164 1/20 0.35
SRC P12931 2/20 0.35
KIT P10721 1/20 0.35
PDGFRA P16234 1/20 0.35
NPC1 O15118 1/20 0.34
LMNA P02545 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HSD17B10 Q99714 1/20 0.34
GPR88 Q9GZN0 1/20 0.34
IRAK4 Q9NWZ3 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
SCHEMBL2571668 0.86 NTRK1 (0.38) NTRK1TSHRMEN1MAPK1KMT2A
SCHEMBL16171674 0.84 NTRK1 (0.38) NTRK1TSHRMEN1MAPK1KMT2A
SCHEMBL20952658 0.81 KIT (0.39) NTRK1TSHRMEN1MAPK1KMT2A
SCHEMBL20438069 0.81 NTRK1 (0.36) NTRK1TSHRMEN1MAPK1KMT2A
SCHEMBL22381401 0.80 ALDH1A1 (0.43) NTRK1TSHRMEN1MAPK1KMT2A
SCHEMBL21151016 0.80 HDAC3 (0.35)
SCHEMBL22400121 0.80 MEN1 (0.45) NTRK1TSHRMEN1MAPK1KMT2A
SCHEMBL4751928 0.79 MAPK1 (0.45) TSHRMEN1MAPK1KMT2ASRC
SCHEMBL23937854 0.78 NTRK1 (0.41) NTRK1TSHRMEN1MAPK1KMT2A
SCHEMBL22400120 0.78 NTRK1 (0.37) NTRK1TSHRMEN1MAPK1KMT2A

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-20240024497-A1 METHODS FOR THE SYNTHESIS OF PROTEIN-DRUG CONJUGATES CIDARA THERAPEUTICS, INC. 2024-01-25 US disclosed
US-11767336-B2 Organometallic cluster photoresists for EUV lithography TAIWAN SEMICONDUCTOR MANUFACTURING CO., LTD. (TW) 2023-09-26 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 (2 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-20240024497-A1 METHODS FOR THE SYNTHESIS OF PROTEIN-DRUG CONJUGATES RNGTT, RNMT, DNPEP NTRK1 3426/4885TSHR 3025/4885MEN1 4033/4885
US-11767336-B2 Organometallic cluster photoresists for EUV lithography ETV6, CDV3, RUVBL2 NTRK1 3663/4885TSHR 4564/4885MEN1 2329/4885

“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.