SCHEMBL3255367

SCHEMBL3255367

[CH2]c1nc2c(C)cccc2c2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 3/20 0.49
CYP2A6 P11509 2/20 0.45
ALDH1A1 P00352 2/20 0.45
PARP1 P09874 2/20 0.44
TP53 P04637 1/20 0.44
TNKS O95271 1/20 0.42
TNKS2 Q9H2K2 1/20 0.42
KDM4E B2RXH2 5/20 0.42
CYP1A2 P05177 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
GAA P10253 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
RAD52 P43351 1/20 0.40
HPGD P15428 2/20 0.40
TSHR P16473 2/20 0.40
HSD17B10 Q99714 2/20 0.40
POLB P06746 1/20 0.40
HRH4 Q9H3N8 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
SCHEMBL3255370 0.79 GPR3 (0.54) ELANECYP2A6ALDH1A1PARP1TP53
SCHEMBL3256101 0.73 ELANE (0.42) ELANECYP2A6ALDH1A1PARP1CYP1A2
SCHEMBL12578240 0.72 RAB9A (0.49) ELANECYP2A6ALDH1A1PARP1TP53
SCHEMBL2760802 0.72 KMT2A (0.55) ELANECYP2A6ALDH1A1PARP1TP53
SCHEMBL28279305 0.72 ELANE (0.45) ELANECYP2A6ALDH1A1PARP1TP53
SCHEMBL14015461 0.72 CYP1A2 (0.50) ELANECYP2A6ALDH1A1PARP1TP53
SCHEMBL11060868 0.70 KDM4E (0.61) ELANECYP2A6ALDH1A1PARP1TNKS
SCHEMBL28824684 0.69 CYP1A2 (0.44) ELANECYP2A6ALDH1A1PARP1KDM4E
SCHEMBL19007827 0.68 CYP2A6 (0.50) ELANECYP2A6ALDH1A1PARP1TP53
SCHEMBL27977387 0.68 KDM1A (0.50) ELANECYP2A6ALDH1A1PARP1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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 claimed
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 claimed
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 claimed
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 claimed
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 claimed
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
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
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

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 ELANE 1418/4885CYP2A6 864/4885ALDH1A1 198/4885
US-20100144703-A1 XANTHINE DERIVATIVES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS DPP4, DPP7, DPP3 ELANE 1566/4885CYP2A6 832/4885ALDH1A1 401/4885
US-20090093457-A1 XANTHINE DERIVATIVES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS DPP4, DPP7, DPP3 ELANE 1566/4885CYP2A6 832/4885ALDH1A1 401/4885

“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.