SCHEMBL14005239

SCHEMBL14005239

C(=N/Nc1ccc(CNCc2ccccn2)cc1)\c1nc2ccccc2[nH]1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 8/20 0.45
▸ MAPT P10636 7/20 0.45
▸ NPC1 O15118 5/20 0.45
▸ RAB9A P51151 4/20 0.45
▸ HTT P42858 3/20 0.45
▸ NPSR1 Q6W5P4 2/20 0.45
▸ PKM P14618 1/20 0.45
▸ CXCR4 P61073 4/20 0.44
▸ L3MBTL1 Q9Y468 3/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ STK33 Q9BYT3 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP2E1 P05181 1/20 0.40
▸ CYP2C8 P10632 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2B6 P20813 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ KMT2A Q03164 4/20 0.39
▸ KDM4E B2RXH2 3/20 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
SCHEMBL13909540 0.77 CXCR4 (0.58) GAANPC1RAB9APKMCXCR4
SCHEMBL14005261 0.76 NOX1 (0.50) GAAMAPTNPC1RAB9ACXCR4
SCHEMBL4930211 0.75 RAB9A (0.56) GAAMAPTNPC1RAB9AHTT
SCHEMBL14025736 0.71 RAB9A (0.55) NPC1RAB9APKMCXCR4L3MBTL1
SCHEMBL3314110 0.71 L3MBTL1 (0.62) CXCR4L3MBTL1ALDH1A1KMT2AKDM4E
SCHEMBL29860055 0.71 L3MBTL1 (0.62) CXCR4L3MBTL1ALDH1A1KMT2AKDM4E
SCHEMBL14025797 0.69 SLC40A1 (0.60) GAAMAPTRAB9AHTTCXCR4
SCHEMBL13909579 0.68 CXCR4 (0.58) NPSR1CXCR4KDM4EPOLBTDP1
SCHEMBL3988925 0.68 CXCR4 (0.56) PKMCXCR4STK33SLC40A1
SCHEMBL13909625 0.68 CXCR4 (0.58) PKMCXCR4L3MBTL1ALDH1A1STK33

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-20080293711-A1 Chemokine receptor modulators METASTATIX, INC. 2008-11-27 — — US disclosed
US-20080293711-A1 Chemokine receptor modulators METASTATIX, INC. 2008-11-27 — — US disclosed
WO-2008112156-A1 CHEMOKINE RECEPTOR MODULATORS ALTIRIS THERAPEUTICS (US) 2008-09-18 — — WO 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-20080293711-A1 Chemokine receptor modulators CCR5, CCL2, CXCR4 GAA 4547/4885MAPT 4253/4885NPC1 363/4885

“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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