SCHEMBL22894792

SCHEMBL22894792

Cn1c(CO)nc2c(F)cccc21

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.40
GRM2 Q14416 3/20 0.37
POLB P06746 2/20 0.36
TP53 P04637 1/20 0.36
GAA P10253 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
DRD2 P14416 1/20 0.36
DRD3 P35462 1/20 0.36
RHEB Q15382 1/20 0.36
PDE10A Q9Y233 1/20 0.36
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
PKM P14618 2/20 0.35
MAPT P10636 1/20 0.35
LMNA P02545 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
NTRK1 P04629 1/20 0.34
CYP2D6 P10635 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
SCHEMBL12263310 0.85 MEN1 (0.43) PPARGGRM2POLBTP53GAA
SCHEMBL4726673 0.83 GRM2 (0.37) PPARGGRM2POLBTP53GAA
SCHEMBL26115823 0.80 GRM2 (0.43) PPARGGRM2POLBTP53SMN1; SMN2
SCHEMBL30590774 0.80 GRM2 (0.43) PPARGGRM2POLBTP53SMN1; SMN2
SCHEMBL30885833 0.77 PDE10A (0.34) RHEBPDE10ANPC1RAB9A
SCHEMBL15780474 0.76 MAPT (0.37) PPARGGRM2POLBTP53SMN1; SMN2
SCHEMBL22143086 0.76 PARP1 (0.43) PPARGGRM2TP53GAASMN1; SMN2
SCHEMBL30685057 0.75 SMN1; SMN2 (0.50) GRM2POLBTP53GAASMN1; SMN2
SCHEMBL13543521 0.75 CYP1A2 (0.49) GRM2POLBTP53GAASMN1; SMN2
SCHEMBL22143221 0.74 PDE10A (0.38) GRM2POLBTP53GAASMN1; SMN2

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-20210009557-A1 ACYCLIC CXCR4 INHIBITORS AND USES THEREOF X4 PHARMACEUTICALS, INC. 2021-01-14 US disclosed
CN-111655261-A Acyclic CXCR4 inhibitors and uses thereof X4 制药有限公司 2020-09-11 CN 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-20210009557-A1 ACYCLIC CXCR4 INHIBITORS AND USES THEREOF CXCR4, CXCR3, CXCR1 PPARG 683/4885GRM2 441/4885POLB 4152/4885

“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.