SCHEMBL12377316

SCHEMBL12377316

CC(C)n1cnc2cc(C(F)(F)F)cc(Cl)c21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRPS1 P60891 2/20 0.39
▸ ABL1 P00519 4/20 0.39
▸ GABRA2 P47869 3/20 0.38
▸ GABRB2 P47870 3/20 0.38
▸ GABRB3 P28472 3/20 0.38
▸ GABRP O00591 1/20 0.38
▸ GABRD O14764 1/20 0.38
▸ GABRA1 P14867 1/20 0.38
▸ GABRB1 P18505 1/20 0.38
▸ GABRG2 P18507 1/20 0.38
▸ GABRA5 P31644 1/20 0.38
▸ GABRA3 P34903 1/20 0.38
▸ GABRA4 P48169 1/20 0.38
▸ GABRE P78334 1/20 0.38
▸ GABRA6 Q16445 1/20 0.38
▸ GABRG1 Q8N1C3 1/20 0.38
▸ GABRG3 Q99928 1/20 0.38
▸ GABRQ Q9UN88 1/20 0.38
▸ CDK1 P06493 1/20 0.37
▸ PDE2A O00408 1/20 0.36

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
SCHEMBL12413914 0.80 PRPS1 (0.44) PRPS1GABRA2GABRB2GABRB3GABRP
SCHEMBL11814039 0.72 ADORA2A (0.37) ABL1ADORA2AADORA1SMN1; SMN2
SCHEMBL22598707 0.72 PSMB8 (0.41) PRPS1ABL1CDK1ADORA2AADORA1
SCHEMBL7726987 0.72 HCAR3 (0.54) CDK1SMN1; SMN2KDM4EALDH1A1KMT2A
SCHEMBL31698068 0.71 ABL1 (0.37) ABL1ADORA2AADORA1
SCHEMBL31698360 0.71 ABL1 (0.39) ABL1CDK1ADORA2AADORA1
SCHEMBL12377321 0.71 CYP2D6 (0.39) GABRA2GABRB2GABRB3GABRPGABRD
SCHEMBL12377307 0.71 PDE2A (0.38) GABRA2GABRB2GABRB3PDE2ASMN1; SMN2
SCHEMBL12377328 0.71 GLP1R (0.36) GABRA2GABRB2GABRB3GABRPGABRD
SCHEMBL19848505 0.69 HCAR3 (0.43) PRPS1CDK1PDE2AKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200339543-A1 AGRICULTURAL CHEMICALS GLOBACHEM NV (BE) 2020-10-29 — — US disclosed
US-7989422-B2 Antibacterial agents ALCHEMIA LIMITED (AU) 2011-08-02 — — US disclosed
US-20090023669-A1 Antibacterial Agents ALCHEMIA LIMITED (AU) 2009-01-22 — — 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-20200339543-A1 AGRICULTURAL CHEMICALS ABAT, BRDT, GABBR1 PRPS1 1862/4885ABL1 1585/4885GABRA2 72/4885
US-20090023669-A1 Antibacterial Agents MRPL21, FUT6, FUT5 PRPS1 3161/4885ABL1 1677/4885GABRA2 4452/4885

“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.

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