SCHEMBL10174932

SCHEMBL10174932

CCc1cncc(C(=O)N(C)C)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMYD3 Q9H7B4 1/20 0.47
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ HTT P42858 2/20 0.44
▸ MAPT P10636 1/20 0.44
▸ ALDH1A1 P00352 3/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.38
▸ PKM P14618 1/20 0.38
▸ CYP3A4 P08684 2/20 0.36
▸ MAP4K1 Q92918 1/20 0.36
▸ ATM Q13315 1/20 0.36
▸ CYP11B2 P19099 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ CLK4 Q9HAZ1 1/20 0.36

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
SCHEMBL23021760 0.86 SMN1; SMN2 (0.41) SMN1; SMN2HTTALDH1A1KMT2AKDM4E
SCHEMBL14754870 0.82 KMT2A (0.45) SMYD3SMN1; SMN2HTTMAPTALDH1A1
SCHEMBL14754890 0.81 KMT2A (0.44) SMYD3SMN1; SMN2HTTMAPTALDH1A1
SCHEMBL30281282 0.79 CYP2C9 (0.61) SMYD3SMN1; SMN2HTTMAPTALDH1A1
SCHEMBL846393 0.79 CYP2C9 (0.61) SMYD3SMN1; SMN2HTTMAPTALDH1A1
SCHEMBL11620686 0.79 SMYD3 (0.50) SMYD3SMN1; SMN2HTTMAPTALDH1A1
SCHEMBL1004593 0.79 RXRA (0.44) SMN1; SMN2ALDH1A1KMT2AMEN1CYP2C9
SCHEMBL9607829 0.78 SMYD3 (0.52) SMYD3SMN1; SMN2HTTMAPTKDM4E
SCHEMBL31046827 0.78 SMYD3 (0.52) SMYD3SMN1; SMN2HTTMAPTKDM4E
SCHEMBL1516680 0.78 HTT (0.66) SMN1; SMN2HTTMAPTALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015196759-A1 PYRAZOLE COMPOUNDS AS MODULATORS OF FSHR AND USES THEREOF TOCOPHERX, INC. (US) 2015-12-30 — — WO disclosed
US-20130059835-A1 HETEROCYCLYLAMINES AS PI3K INHIBITORS INCYTE CORPORATION (US) 2013-03-07 — — US disclosed
US-20120178743-A1 NOVEL ADENINE COMPOUND AND USE THEREOF DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-07-12 — — US disclosed
US-8148371-B2 Adenine compound and use thereof DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-04-03 — — US disclosed
US-20100256118-A1 NOVEL ADENINE COMPOUND AND USE THEREOF DAINIPPON SUMITOMO PHARMA CO.,LTD. (JP) 2010-10-07 — — US disclosed
US-7754728-B2 Adenine compound and use thereof DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2010-07-13 — — 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-20100256118-A1 NOVEL ADENINE COMPOUND AND USE THEREOF ADORA1, P2RY10, HRH4 SMYD3 2976/4885SMN1; SMN2 4588/4885HTT 4379/4885
US-20120178743-A1 NOVEL ADENINE COMPOUND AND USE THEREOF ADORA1, HRH4, P2RY10 SMYD3 2976/4885SMN1; SMN2 4605/4885HTT 4421/4885
US-20130059835-A1 HETEROCYCLYLAMINES AS PI3K INHIBITORS PIK3CA, PIK3CD, PIK3CB SMYD3 1123/4885SMN1; SMN2 4552/4885HTT 1804/4885

“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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