SCHEMBL9729936

SCHEMBL9729936

CC(C)c1cn(-c2ccc(F)cc2)nn1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 2/20 0.46
PTGS2 P35354 2/20 0.46
PTGS1 P23219 1/20 0.46
DDX3X O00571 1/20 0.44
SIGMAR1 Q99720 1/20 0.43
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA5A P35218 1/20 0.42
CA5B Q9Y2D0 1/20 0.42
NOTUM Q6P988 1/20 0.42
MIF P14174 2/20 0.41
ESRRA P11474 2/20 0.41
RXRA P19793 1/20 0.40
GRIN1 Q05586 1/20 0.40
GRIN2B Q13224 1/20 0.40
CA4 P22748 1/20 0.39
CA9 Q16790 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
SCHEMBL13183607 0.84 NOTUM (0.53) FLT3PTGS2PTGS1CA1CA2
SCHEMBL15542645 0.84 FLT3 (0.47) FLT3PTGS2PTGS1DDX3XSIGMAR1
SCHEMBL13160180 0.84 NOTUM (0.51) NOTUMESRRA
SCHEMBL13119830 0.81 P2RX7 (0.50) PTGS2PTGS1NOTUMMIFESRRA
SCHEMBL22185933 0.81 NOTUM (0.55) PTGS2SIGMAR1CA1CA2NOTUM
SCHEMBL19589440 0.80 MAOA (0.50) FLT3NOTUMESRRARXRAGRIN1
SCHEMBL20046658 0.79 RXRA (0.41) PTGS2NOTUMMIFESRRARXRA
SCHEMBL23008630 0.79 CYP1B1 (0.37) NOTUMRXRAGRIN1GRIN2B
SCHEMBL24908501 0.78 NOTUM (0.55) NOTUM
SCHEMBL20282382 0.77 SIGMAR1 (0.47) SIGMAR1NOTUMRXRAGRIN1GRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023205206-A1 LINCOSAMIDES AND USES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2023-10-26 WO disclosed
US-20220402926-A1 NOVEL MACROCYCLIC SPIROPYRROLIDINE DERIVED ANTIVIRAL AGENTS ENANTA PHARMACEUTICALS, INC. 2022-12-22 US disclosed
US-5081136-A 1,2,3-TRIAZOLE COMPOUNDS ACTIVE AS INHIBITORS OF THE ENZYME HMG-COA REDUCTASE AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ZAMBON GROUP S.P.A. (IT) 1992-01-14 US disclosed
EP-0433842-A2 1,2,3-Triazole derivatives active as inhibitors of the enzyme HMG-COA reductase and pharmaceutical compositions containing them ZAMBON GROUP S.p.A. (IT) 1991-06-26 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-20220402926-A1 NOVEL MACROCYCLIC SPIROPYRROLIDINE DERIVED ANTIVIRAL AGENTS ACE, ACE2, PKD1 FLT3 834/4885PTGS2 3570/4885PTGS1 1379/4885

“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.