SCHEMBL22019451

SCHEMBL22019451

CCCCCCCC(CCCCCC)N1CCNCC1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GNAO1 P09471 12/20 0.46
GNAI3 P08754 11/20 0.46
GNAI1 P63096 11/20 0.46
SIGMAR1 Q99720 3/20 0.40
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
FDPS P14324 3/20 0.35
LMNA P02545 1/20 0.34

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
SCHEMBL28210517 1.00 GNAO1 (0.46) GNAO1GNAI3GNAI1SIGMAR1SLC6A2
SCHEMBL21581280 1.00 GNAO1 (0.46) GNAO1GNAI3GNAI1SIGMAR1SLC6A2
SCHEMBL21581261 1.00 GNAO1 (0.46) GNAO1GNAI3GNAI1SIGMAR1SLC6A2
SCHEMBL18761564 1.00 GNAO1 (0.46) GNAO1GNAI3GNAI1SIGMAR1SLC6A2
SCHEMBL18612783 1.00 GNAO1 (0.46) GNAO1GNAI3GNAI1SIGMAR1SLC6A2
SCHEMBL369682 0.98 GNAO1 (0.43) GNAO1GNAI3GNAI1SIGMAR1SLC6A2
SCHEMBL22702328 0.96 GNAO1 (0.42) GNAO1GNAI3GNAI1SIGMAR1SLC6A2
SCHEMBL22702329 0.94 SIGMAR1 (0.42) GNAO1GNAI3GNAI1SIGMAR1SLC6A2
SCHEMBL18699333 0.93 SIGMAR1 (0.41) GNAO1GNAI3GNAI1SIGMAR1SLC6A2
SCHEMBL30859683 0.93 SIGMAR1 (0.41) GNAO1GNAI3GNAI1SIGMAR1SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230322789-A1 PYRAZOLOPYRIDAZINONE COMPOUND, AND PHARMACEUTICAL COMPOSITION AND USE THEREOF BROADENBIO CO., LTD. (CN) 2023-10-12 US disclosed
US-20220340577-A1 GCN2 INHIBITORS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED 2022-10-27 US disclosed
US-20220213109-A1 KRAS mutant protein inhibitors JACOBIO PHARMACEUTICALS CO LTD (CN) 2022-07-07 US disclosed
US-11161847-B2 KRAS mutant protein inhibitors JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2021-11-02 US disclosed
US-20200155540-A1 6-(5-MEMBERED HETEROARYL)ISOQUINOLIN-3-YL-(5-MEMBERED HETEROARYL) CARBOXAMIDES AND PREPARATION AND USE THEREOF VICKERS VENTURE FUND VI PTE. LTD. (SG) 2020-05-21 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 (5 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-20200155540-A1 6-(5-MEMBERED HETEROARYL)ISOQUINOLIN-3-YL-(5-MEMBERED HETEROARYL) CARBOXAMIDES AND PREPARATION AND USE THEREOF DYRK1A, WNT3, DYRK3 GNAO1 2648/4885GNAI3 1296/4885GNAI1 1951/4885
US-11161847-B2 KRAS mutant protein inhibitors KRAS, NRAS, APC GNAO1 1057/4885GNAI3 64/4885GNAI1 40/4885
US-20220213109-A1 KRAS mutant protein inhibitors KRAS, NRAS, APC GNAO1 1139/4885GNAI3 69/4885GNAI1 37/4885
US-20220340577-A1 GCN2 INHIBITORS AND USES THEREOF EIF2AK4, GCN1, GCGR GNAO1 258/4885GNAI3 38/4885GNAI1 34/4885
US-20230322789-A1 PYRAZOLOPYRIDAZINONE COMPOUND, AND PHARMACEUTICAL COMPOSITION AND USE THEREOF PDXK, CMPK1, GCK GNAO1 2286/4885GNAI3 2144/4885GNAI1 2023/4885

“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.