SCHEMBL4928638

SCHEMBL4928638

Clc1ncnc2[nH]nc(-c3ccccc3)c12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
YTHDC1 Q96MU7 1/20 0.43
YTHDF2 Q9Y5A9 1/20 0.43
HPGD P15428 4/20 0.42
JAK2 O60674 1/20 0.42
ALDH1A1 P00352 5/20 0.42
KDM4E B2RXH2 3/20 0.42
GAA P10253 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TTK P33981 2/20 0.41
ALPL P05186 1/20 0.41
IDO1 P14902 1/20 0.41
MAPK10 P53779 1/20 0.41
SRC P12931 1/20 0.40
PIK3CD O00329 2/20 0.40
PIK3CA P42336 2/20 0.40
PIK3CB P42338 2/20 0.40
PIK3CG P48736 2/20 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
SCHEMBL12712688 0.87 NUDT14 (0.48) NPC1RAB9APIK3CDPIK3CAPIK3CB
SCHEMBL8318622 0.87 SRC (0.44) KDM4ESMN1; SMN2ALPLMAPK10SRC
SCHEMBL408618 0.81 PIK3CD (0.55) YTHDC1YTHDF2HPGDJAK2ALDH1A1
SCHEMBL8325830 0.80 MAPT (0.49) JAK2ALDH1A1KDM4ESMN1; SMN2NPC1
SCHEMBL27821032 0.80 YTHDC1 (0.43) YTHDC1YTHDF2HPGDJAK2ALDH1A1
SCHEMBL4930122 0.80 YTHDC1 (0.43) YTHDC1YTHDF2HPGDJAK2ALDH1A1
SCHEMBL5065122 0.79 PIK3CD (0.57) YTHDC1YTHDF2HPGDJAK2ALDH1A1
SCHEMBL3393329 0.78 HPGD (0.44) HPGDALDH1A1KDM4EGAASMN1; SMN2
SCHEMBL6682618 0.77 EGFR (0.49) SRCABL1EGFRCDK1PRKCA
SCHEMBL5786736 0.77 ALDH1A1 (0.46) HPGDALDH1A1KDM4EGAASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8076338-B2 Such as 6-(4-phenylpiperazin-1-yl)-9H-purine; cell proliferation/differentiation EXELIXIS, INC. (US) 2011-12-13 US disclosed
US-20080076774-A1 Kinase Modulators and Methods of Use EXELIXIS, INC. (US) 2008-03-27 US disclosed
EP-1750727-A2 KINASE MODULATORS AND METHODS OF USE Exelixis, Inc. (US) 2007-02-14 EP disclosed
WO-2005117909-A2 KINASE MODULATORS AND METHODS OF USE EXELIXIS, INC. (US) 2005-12-15 WO disclosed
EP-0496617-B1 Adenosine kinase inhibitors METABASIS THERAPEUTICS INC (US) 1999-12-01 EP disclosed
EP-0682519-A4 ADENOSINE KINASE INHIBITORS. GENSIA INC (US) 1997-12-17 EP disclosed
US-5646128-A TREATING INFLAMMATION, SEPSIS, SEPTIC SHOCK, BURNS GENSIA, INC. (US) 1997-07-08 US disclosed
US-5506347-A ADENOSINE KINASE INHIBITOR GENSIA, INC. (US) 1996-04-09 US disclosed
EP-0682519-A1 ADENOSINE KINASE INHIBITORS GENSIA, INC. (US) 1995-11-22 EP disclosed
WO-1994017803-A9 ADENOSINE KINASE INHIBITORS 1994-09-29 WO disclosed
WO-1994017803-A1 ADENOSINE KINASE INHIBITORS GENSIA, INC. (US) 1994-08-18 WO disclosed
WO-1992012718-A1 ADENOSINE KINASE INHIBITORS GENSIA, INC. (US) 1992-08-06 WO disclosed
EP-0496617-A1 Adenosine kinase inhibitors GENSIA, INC. (US) 1992-07-29 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-20080076774-A1 Kinase Modulators and Methods of Use AKT3, RPS6KA3, CDK3 YTHDC1 3807/4885YTHDF2 3013/4885HPGD 2459/4885

“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.