SCHEMBL33266

SCHEMBL33266

CCCn1nc(C)nc1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.39
ADORA2B P29275 1/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
L3MBTL1 Q9Y468 1/20 0.32
TSHR P16473 2/20 0.32
POLB P06746 2/20 0.32
MAPT P10636 2/20 0.31
CRHR1 P34998 2/20 0.31
LMNA P02545 2/20 0.31
HTT P42858 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
CYP3A4 P08684 2/20 0.31
CRHBP P24387 1/20 0.31
MAPK1 P28482 1/20 0.31
CASP1 P29466 1/20 0.31
CASP7 P55210 1/20 0.31
CRHR2 Q13324 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP1A2 P05177 1/20 0.31

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
SCHEMBL19286101 0.83 SLC9A1 (0.38) MEN1KMT2AMAPTCRHBPCRHR2
SCHEMBL20691037 0.79 ALDH1A1 (0.42) MEN1KMT2AL3MBTL1MAPTLMNA
SCHEMBL21889149 0.79 KMT2A (0.41) MEN1KMT2AL3MBTL1TSHRPOLB
SCHEMBL20159662 0.77 ADORA2A (0.37) ADORA2AADORA2BPOLBCRHR1
SCHEMBL20159255 0.77 ADORA2A (0.37) ADORA2AADORA2BPOLBMAPTCRHR1
SCHEMBL18157872 0.77 L3MBTL1 (0.35) MEN1KMT2AL3MBTL1MAPTLMNA
SCHEMBL24094362 0.76 MEN1 (0.39) MEN1KMT2AL3MBTL1MAPTLMNA
SCHEMBL20691038 0.76 MEN1 (0.46) MEN1KMT2AL3MBTL1
SCHEMBL22212156 0.74 MEN1 (0.44) MEN1KMT2A
SCHEMBL20747211 0.74 MEN1 (0.44) MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160347748-A1 BENZAMIDE AND NICOTINAMIDE COMPOUNDS AND METHODS OF USING SAME ONCOTARTIS INC. 2016-12-01 US disclosed
US-9062035-B2 Piperazine compound capable of inhibiting prostaglandin D synthase TAIHO PHARMACEUTICAL CO., LTD. (JP) 2015-06-23 US disclosed
US-9062035-B2 Piperazine compound capable of inhibiting prostaglandin D synthase TAIHO PHARMACEUTICAL CO., LTD. (JP) 2015-06-23 US disclosed
US-8865714-B2 Piperazine compound capable of inhibiting prostaglandin D synthase TAIHO PHARMACEUTICAL CO., LTD. (JP) 2014-10-21 US disclosed
US-8865714-B2 Piperazine compound capable of inhibiting prostaglandin D synthase TAIHO PHARMACEUTICAL CO., LTD. (JP) 2014-10-21 US disclosed
US-20140128394-A1 PIPERAZINE COMPOUND CAPABLE OF INHIBITING PROSTAGLANDIN D SYNTHASE TAIHO PHARMACEUTICAL CO., LTD. (JP) 2014-05-08 US disclosed
US-20140128394-A1 PIPERAZINE COMPOUND CAPABLE OF INHIBITING PROSTAGLANDIN D SYNTHASE TAIHO PHARMACEUTICAL CO., LTD. (JP) 2014-05-08 US disclosed
EP-2407466-A1 PIPERAZINE COMPOUND CAPABLE OF INHIBITING PROSTAGLANDIN D SYNTHASE Taiho Pharmaceutical Co., Ltd. (JP) 2012-01-18 EP disclosed
US-20110319413-A1 PIPERAZINE COMPOUND CAPABLE OF INHIBITING PROSTAGLANDIN D SYNTHASE TAIHO PHARMACEUTICAL CO., LTD. (JP) 2011-12-29 US disclosed
US-20110319413-A1 PIPERAZINE COMPOUND CAPABLE OF INHIBITING PROSTAGLANDIN D SYNTHASE TAIHO PHARMACEUTICAL CO., LTD. (JP) 2011-12-29 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-20160347748-A1 BENZAMIDE AND NICOTINAMIDE COMPOUNDS AND METHODS OF USING SAME NAMPT, NNT, NADK ADORA2A 469/4885ADORA2B 568/4885MEN1 976/4885
US-20140128394-A1 PIPERAZINE COMPOUND CAPABLE OF INHIBITING PROSTAGLANDIN D SYNTHASE PTGDR, PTGS1, PTGDR2 ADORA2A 1037/4885ADORA2B 511/4885MEN1 3950/4885
US-20110319413-A1 PIPERAZINE COMPOUND CAPABLE OF INHIBITING PROSTAGLANDIN D SYNTHASE PTGS1, PTGDR, PTGIS ADORA2A 1247/4885ADORA2B 695/4885MEN1 4191/4885

“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.