SCHEMBL2944756

SCHEMBL2944756

Nc1cc(Cl)c2ncccc2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 3/20 0.55
CCR8 P51685 3/20 0.55
L3MBTL1 Q9Y468 2/20 0.55
ALDH1A1 P00352 5/20 0.53
CASP6 P55212 1/20 0.49
KDM4E B2RXH2 5/20 0.48
SMN1; SMN2 Q16637 5/20 0.48
MAPT P10636 4/20 0.48
TP53 P04637 3/20 0.48
HSP90AA1 P07900 3/20 0.48
HTT P42858 3/20 0.48
TSHR P16473 2/20 0.48
HSP90AB1 P08238 1/20 0.48
CASP1 P29466 1/20 0.48
ATM Q13315 1/20 0.48
HSD17B10 Q99714 1/20 0.48
PTPN6 P29350 1/20 0.48
PTPN11 Q06124 1/20 0.48
ADORA2A P29274 4/20 0.46
LMNA P02545 3/20 0.45

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
SCHEMBL7548538 0.80 KDM4E (0.52) CCR1CCR8L3MBTL1ALDH1A1CASP6
SCHEMBL31378859 0.78 CCR1 (0.56) CCR1CCR8L3MBTL1ALDH1A1CASP6
SCHEMBL17092795 0.77 CCR1 (0.55) CCR1CCR8L3MBTL1ALDH1A1CASP6
SCHEMBL3565423 0.77 ALDH1A1 (0.58) CCR1CCR8L3MBTL1ALDH1A1KDM4E
SCHEMBL31135866 0.77 PSMD14 (0.62) CCR1CCR8L3MBTL1ALDH1A1KDM4E
SCHEMBL2938512 0.77 LMNA (0.56) CCR1CCR8L3MBTL1ALDH1A1KDM4E
SCHEMBL11087820 0.77 PSMD14 (0.62) CCR1CCR8L3MBTL1ALDH1A1KDM4E
SCHEMBL15007502 0.77 KDM4E (0.48) CCR1CCR8L3MBTL1ALDH1A1KDM4E
SCHEMBL22270741 0.77 CCR1 (0.55) CCR1CCR8L3MBTL1ALDH1A1CASP6
SCHEMBL13977909 0.77 PSMD14 (0.62) CCR1CCR8L3MBTL1ALDH1A1CASP6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2149574-B1 2, 6-DINITROGEN-CONTAINING SUBSTITUTED PURINE DERIVATIVES, THE PREPARATION AND USES THEREOF ZHEJIANG MED XINCHANG PHARM (CN) 2015-12-02 EP disclosed
US-8580763-B2 2, 6-dinitrogen-containing substituted purine derivatives, the preparation and uses thereof ZHANGGUI WU (CN) 2013-11-12 US disclosed
US-20100144663-A1 2, 6-Dinitrogen-Containing Substituted Purine Derivatives, The Preparation And Uses Thereof ZHE JIANG MEDICINE CO., LTD. XINCHANG PHARMACEUTICAL FACTORY (CN) 2010-06-10 US disclosed
EP-2149574-A1 2, 6-DINITROGEN-CONTAINING SUBSTITUTED PURINE DERIVATIVES, THE PREPARATION AND USES THEREOF ZheJiang Medicine Co., Ltd. Xinchang Pharmaceutical Factory (CN) 2010-02-03 EP disclosed
CN-101289449-A 2, 6-dinitrogen-containing substituted purine derivative and preparation method and application thereof ZHEJIANG MEDICINE CO LTD (CN) 2008-10-22 CN 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-20100144663-A1 2, 6-Dinitrogen-Containing Substituted Purine Derivatives, The Preparation And Uses Thereof PNP, NUDT1, DPYD CCR1 3929/4885CCR8 4015/4885L3MBTL1 2139/4885

“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.