SCHEMBL2086648

SCHEMBL2086648

O=Cc1nc2ccccc2n1-c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.56
HTT P42858 1/20 0.56
KMT2A Q03164 6/20 0.49
MEN1 O00255 5/20 0.49
ALDH1A1 P00352 4/20 0.49
CRHBP P24387 3/20 0.49
CRHR2 Q13324 3/20 0.49
RECQL P46063 2/20 0.49
TDP1 Q9NUW8 1/20 0.49
TSHR P16473 2/20 0.46
VDR P11473 2/20 0.46
SLC22A12 Q96S37 1/20 0.46
USP2 O75604 1/20 0.46
GSR P00390 1/20 0.46
ESR1 P03372 1/20 0.44
ESR2 Q92731 1/20 0.44
MAPT P10636 4/20 0.44
RAB9A P51151 3/20 0.44
KDM4E B2RXH2 2/20 0.44
LMNA P02545 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
SCHEMBL11901799 0.82 RPS6KA5 (0.49) MAPK1HTTALDH1A1RECQLMAPT
SCHEMBL12545552 0.82 MAPK1 (0.56) MAPK1HTTKMT2AMEN1ALDH1A1
SCHEMBL6583378 0.79 KDM4E (0.64) MAPK1HTTKMT2AMEN1ALDH1A1
SCHEMBL8550750 0.79 KDM4E (0.64) MAPK1HTTKMT2AMEN1ALDH1A1
SCHEMBL6583386 0.79 KDM4E (0.64) MAPK1HTTKMT2AMEN1ALDH1A1
SCHEMBL6585394 0.79 RECQL (0.49) MAPK1HTTKMT2AMEN1ALDH1A1
SCHEMBL6585397 0.79 RECQL (0.49) MAPK1HTTKMT2AMEN1ALDH1A1
SCHEMBL7191387 0.77 VDR (0.50) HTTKMT2AALDH1A1TDP1VDR
SCHEMBL6581399 0.77 MEN1 (0.51) MAPK1HTTKMT2AMEN1ALDH1A1
SCHEMBL6581397 0.77 MEN1 (0.51) MAPK1HTTKMT2AMEN1ALDH1A1

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-1613613-B1 CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS GENZYME CORP (US) 2021-06-02 EP disclosed
US-7863293-B2 CXCR4 chemokine receptor binding compounds GENZYME CORPORATION (US) 2011-01-04 US disclosed
US-20080255197-A1 CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED CORPORATION (CA) 2008-10-16 US disclosed
US-7291631-B2 CXCR4 chemokine receptor binding compounds GENZYME CORPORATION (US) 2007-11-06 US disclosed
EP-0276942-B1 6-BETA(SUBSTITUTED)-(S)-HYDROXYMETHYLPENICILLANIC ACIDS AND DERIVATIVES THEREOF PFIZER INC. (US) 1992-04-01 EP disclosed
US-4782050-A BACTERICIDES PFIZER INC. (US) 1988-11-01 US disclosed
EP-0276942-A1 6-Beta(substituted)-(S)-hydroxymethylpenicillanic acids and derivatives thereof PFIZER INC. (US) 1988-08-03 EP 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-20080255197-A1 CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS CXCR4, CXCR1, CXCR3 MAPK1 1259/4885HTT 3742/4885KMT2A 2950/4885

“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.