SCHEMBL21516044

SCHEMBL21516044

c1ccc(C2CCCN2Cc2nc3ccccn3c2N2CCN(c3ccccn3)CC2)nc1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CXCR4 P61073 7/20 0.52
▸ ALDH1A1 P00352 6/20 0.44
▸ LMNA P02545 1/20 0.39
▸ KDM4E B2RXH2 4/20 0.39
▸ POLB P06746 2/20 0.39
▸ GAA P10253 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ SORD Q00796 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ HDAC1 Q13547 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
SCHEMBL21516286 0.90 CXCR4 (0.47) CXCR4ALDH1A1LMNAKDM4EPOLB
SCHEMBL21516076 0.90 CXCR4 (0.59) CXCR4ALDH1A1LMNAKDM4EPOLB
SCHEMBL21516071 0.89 CXCR4 (0.46) CXCR4ALDH1A1LMNAKDM4EPOLB
SCHEMBL21516609 0.89 CXCR4 (0.46) CXCR4ALDH1A1LMNAKDM4EPOLB
SCHEMBL21516290 0.89 CXCR4 (0.48) CXCR4ALDH1A1LMNAKDM4EPOLB
SCHEMBL21516041 0.88 CXCR4 (0.45) CXCR4ALDH1A1LMNAKDM4EPOLB
SCHEMBL21516742 0.86 CXCR4 (0.44) CXCR4ALDH1A1LMNAKDM4EGAA
SCHEMBL21516291 0.86 CXCR4 (0.44) CXCR4ALDH1A1LMNAKDM4EPOLB
SCHEMBL21516036 0.85 CXCR4 (0.47) CXCR4ALDH1A1LMNAKDM4EPOLB
SCHEMBL21516283 0.83 CXCR4 (0.41) CXCR4ALDH1A1LMNAKDM4EPOLB

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-11332470-B2 CXCR4 inhibitors and uses thereof X4 PHARMACEUTICALS, INC. (US) 2022-05-17 — — US disclosed
US-20190322671-A1 CXCR4 INHIBITORS AND USES THEREOF X4 PHARMACEUTICALS, INC. 2019-10-24 — — 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-20190322671-A1 CXCR4 INHIBITORS AND USES THEREOF CXCR4, CXCL12, CXCR3 CXCR4 1/4885ALDH1A1 1512/4885LMNA 4057/4885
US-11332470-B2 CXCR4 inhibitors and uses thereof CXCR4, CXCL12, CXCR3 CXCR4 1/4885ALDH1A1 1512/4885LMNA 4057/4885

“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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