SCHEMBL2760802

SCHEMBL2760802

Cc1cccc2c1nc(CCl)c1ccccc12

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.55
PARP1 P09874 4/20 0.45
TNKS O95271 3/20 0.43
TNKS2 Q9H2K2 3/20 0.43
ELANE P08246 3/20 0.41
ALDH1A1 P00352 2/20 0.41
CYP2A6 P11509 1/20 0.41
TP53 P04637 1/20 0.41
KDM4E B2RXH2 3/20 0.40
HPGD P15428 2/20 0.40
TSHR P16473 2/20 0.40
HSD17B10 Q99714 2/20 0.40
PARP2 Q9UGN5 2/20 0.40
POLB P06746 1/20 0.40
MEN1 O00255 1/20 0.40
RECQL P46063 1/20 0.40

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
SCHEMBL2760595 0.76 KMT2A (0.61) KMT2APARP1ELANEALDH1A1CYP2A6
SCHEMBL3255370 0.75 GPR3 (0.54) KMT2APARP1TNKSTNKS2ELANE
SCHEMBL3255367 0.72 ELANE (0.49) KMT2APARP1TNKSTNKS2ELANE
SCHEMBL18470455 0.71 KMT2A (1.00) KMT2AALDH1A1TP53KDM4EHPGD
Hydrochloric Acid SCHEMBL639710 0.70 KMT2A (0.53) KMT2AALDH1A1CYP2A6TP53KDM4E
SCHEMBL6929158 0.70 PARP1 (0.64) PARP1TNKSTNKS2PARP2
SCHEMBL31483817 0.70 PARP1 (0.64) PARP1TNKSTNKS2PARP2
SCHEMBL9494309 0.69 LMNA (0.43) KMT2APARP1TNKSTNKS2ELANE
SCHEMBL12578240 0.68 RAB9A (0.49) KMT2APARP1ELANEALDH1A1CYP2A6
SCHEMBL1577814 0.68 LMNA (0.67) KMT2APARP1TNKSTNKS2ELANE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2228375-A1 New xanthin derivatives, their production and utilisation as medicine Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2010-09-15 EP disclosed
US-20100144703-A1 XANTHINE DERIVATIVES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2010-06-10 US disclosed
EP-1562946-B1 NOVEL XANTHINE DERIVATIVES, THE PRODUCTION AND THE USE THEREOF IN THE FORM OF DRUGS BOEHRINGER INGELHEIM PHARMA (DE) 2010-05-26 EP disclosed
US-7696212-B2 Xanthine derivatives, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH AND CO. KG (DE) 2010-04-13 US disclosed
US-20090093457-A1 XANTHINE DERIVATIVES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2009-04-09 US disclosed
US-7482337-B2 Xanthine derivatives, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2009-01-27 US disclosed
EP-1562946-A1 NOVEL XANTHINE DERIVATIVES, THE PRODUCTION AND THE USE THEREOF IN THE FORM OF DRUGS Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2005-08-17 EP disclosed
US-20040138214-A1 Xanthine derivatives, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-07-15 US disclosed
WO-2004041820-A1 NOVEL XANTHINE DERIVATIVES, THE PRODUCTION AND THE USE THEREOF IN THE FORM OF DRUGS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-05-21 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 (3 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-20040138214-A1 Xanthine derivatives, the preparation thereof and their use as pharmaceutical compositions DPP4, DPP7, DPP3 KMT2A 3970/4885PARP1 2334/4885TNKS 2233/4885
US-20100144703-A1 XANTHINE DERIVATIVES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS DPP4, DPP7, DPP3 KMT2A 3711/4885PARP1 3057/4885TNKS 2340/4885
US-20090093457-A1 XANTHINE DERIVATIVES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS DPP4, DPP7, DPP3 KMT2A 3711/4885PARP1 3057/4885TNKS 2340/4885

“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.