SCHEMBL9884637

SCHEMBL9884637

c1cnc(NCc2ccc(CNCCCNC3CCCCC3)cc2)nc1

nearest known ligand 0.74

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CXCR4 P61073 17/20 0.74
▸ CXCL12 P48061 1/20 0.74
▸ HRH3 Q9Y5N1 1/20 0.44

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
SCHEMBL9884635 0.86 CXCR4 (0.64) CXCR4CXCL12
SCHEMBL22175466 0.83 CXCR4 (0.54) CXCR4CXCL12
SCHEMBL9884633 0.83 CXCR4 (0.60) CXCR4CXCL12
SCHEMBL22175387 0.81 CXCR4 (0.57) CXCR4CXCL12
SCHEMBL9885528 0.79 CXCR4 (0.85) CXCR4CXCL12HRH3
SCHEMBL13683806 0.79 CXCR4 (0.61) CXCR4CXCL12
SCHEMBL13683819 0.79 CXCR4 (0.57) CXCR4CXCL12
SCHEMBL9884646 0.78 CXCR4 (0.60) CXCR4CXCL12
SCHEMBL9884628 0.78 CXCR4 (0.60) CXCR4CXCL12
SCHEMBL22175399 0.77 CXCR4 (0.58) CXCR4CXCL12HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1890703-B1 PYRIMIDINE COMPOUNDS AS CHEMOKINE RECEPTORS INHIBITORS TAIGEN BIOTECHNOLOGY CO LTD (TW) 2016-05-11 — — EP disclosed
US-8193206-B2 Pyrimidine compounds TAIGEN BIOTECHNOLOGY CO., LTD. (TW) 2012-06-05 — — US disclosed
US-8193206-B2 Pyrimidine compounds TAIGEN BIOTECHNOLOGY CO., LTD. (TW) 2012-06-05 — — US disclosed
US-7589197-B2 Pyrimidine compounds TAIGEN BIOTECHNOLOGY (TW) 2009-09-15 — — US disclosed
US-7589197-B2 Pyrimidine compounds TAIGEN BIOTECHNOLOGY (TW) 2009-09-15 — — US disclosed
US-20090143302-A1 PYRIMIDINE COMPOUNDS TAIGEN BIOTECHNOLOGY CO., LTD. (TW) 2009-06-04 — — US disclosed
US-20090143302-A1 PYRIMIDINE COMPOUNDS TAIGEN BIOTECHNOLOGY CO., LTD. (TW) 2009-06-04 — — 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 (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-20090143302-A1 PYRIMIDINE COMPOUNDS TYMS, TYMP, HPRT1 CXCR4 247/4885CXCL12 109/4885HRH3 1540/4885

“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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