SCHEMBL3947682

SCHEMBL3947682

CN1CCN(c2ccnc3ccc(N)cc23)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.51
MAPT P10636 3/20 0.51
RAD52 P43351 1/20 0.51
NCF1 P14598 5/20 0.48
GAA P10253 3/20 0.48
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
GLA P06280 1/20 0.48
MAPKAPK2 P49137 1/20 0.47
HRH3 Q9Y5N1 2/20 0.44
HRH4 Q9H3N8 1/20 0.44
ADRA2C P18825 3/20 0.44
HTR1A P08908 1/20 0.44
HTR1D P28221 1/20 0.44
HTR1B P28222 1/20 0.44
HTR2A P28223 1/20 0.44
HTR7 P34969 1/20 0.44
HTR6 P50406 1/20 0.44
PTK2B Q14289 2/20 0.44
ALDH1A1 P00352 1/20 0.44

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
Hydrochloric Acid SCHEMBL7531114 0.99 KDM4E (0.54) KDM4EMAPTRAD52NCF1GAA
SCHEMBL24151230 0.84 ADRB2 (0.58) KDM4EMAPTNCF1GAAKMT2A
SCHEMBL3948439 0.82 NCF1 (0.70) NCF1HRH3HTR1AHTR1DHTR1B
SCHEMBL3847734 0.82 NCF1 (0.70) NCF1GAAKMT2AMEN1GLA
SCHEMBL12928129 0.82 NCF1 (0.48) RAD52NCF1GAAKMT2AMEN1
SCHEMBL13827009 0.82 NCF1 (0.48) RAD52NCF1GAAKMT2AMEN1
SCHEMBL16549300 0.82 GAA (0.53) MAPTNCF1GAAMAPKAPK2ADRB2
Hydrochloric Acid SCHEMBL7590361 0.81 NCF1 (0.68) NCF1HRH3HTR1AHTR1DHTR1B
SCHEMBL10268352 0.78 NCF1 (0.67) NCF1KMT2AHRH4ADRA2CADRB2
SCHEMBL30764256 0.78 NCF1 (0.44) RAD52NCF1GAAKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3040337-B1 2, 6-DI-NITROGEN-CONTAINING SUBSTITUTED PURINE DERIVATIVE, AND PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE THEREOF ZHEJIANG MED XINCHANG PHARM (CN) 2019-04-17 EP disclosed
US-9718823-B2 2, 6-Di-nitrogen-containing substituted purine derivative, and preparation method, pharmaceutical composition and use thereof ZHEJIANG MEDICINE CO., LTD. XINCHANG PHARMACEUTICAL FACTORY (CN) 2017-08-01 US disclosed
US-9718823-B2 2, 6-Di-nitrogen-containing substituted purine derivative, and preparation method, pharmaceutical composition and use thereof ZHEJIANG MEDICINE CO., LTD. XINCHANG PHARMACEUTICAL FACTORY (CN) 2017-08-01 US disclosed
US-20160207924-A1 2, 6-Di-Nitrogen-Containing Substituted Purine Derivative, And Preparation Method, Pharmaceutical Composition And Use Thereof ZHEJIANG MEDICINE CO., LTD. XINCHANG PHARMACEUTICAL FACTORY (CN) 2016-07-21 US disclosed
US-20160207924-A1 2, 6-Di-Nitrogen-Containing Substituted Purine Derivative, And Preparation Method, Pharmaceutical Composition And Use Thereof ZHEJIANG MEDICINE CO., LTD. XINCHANG PHARMACEUTICAL FACTORY (CN) 2016-07-21 US disclosed
EP-3040337-A1 2, 6-DI-NITROGEN-CONTAINING SUBSTITUTED PURINE DERIVATIVE, AND PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE THEREOF Zhejiang Medicine Co., Ltd. Xinchang Pharmaceutical Factory (CN) 2016-07-06 EP disclosed
WO-2015027667-A1 2, 6-DI-NITROGEN-CONTAINING SUBSTITUTED PURINE DERIVATIVE, AND PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE THEREOF 浙江医药股份有限公司新昌制药厂 (CN) 2015-03-05 WO disclosed
EP-1450806-B1 USE OF SULFONAMIDE DERIVATIVES IN THE TREATMENT OF OBESITY OR FOR THE REDUCTION OF FOOD INTAKE BIOVITRUM AB PUBL (SE) 2009-04-29 EP disclosed
EP-1450806-A1 USE OF SULFONAMIDE DERIVATIVES IN THE TREATMENT OF OBESITY OR FOR THE REDUCTION OF FOOD INTAKE BIOVITRUM AB (SE) 2004-09-01 EP disclosed
US-20030166663-A1 Use BIOVITRUM AB (SE) 2003-09-04 US disclosed
WO-2003039547-A1 USE OF SULFONAMIDE DERIVATIVES IN THE TREATMENT OF OBESITY OR FOR THE REDUCTION OF FOOD INTAKE BIOVITRUM AB (SE) 2003-05-15 WO disclosed
EP-1228066-A2 SULFONAMIDE DERIVATIVES SMITHKLINE BEECHAM PLC (GB) 2002-08-07 EP disclosed
WO-2001032646-A2 SULFONAMIDE DERIVATIVES SMITHKLINE BEECHAM P.L.C. (GB) 2001-05-10 WO disclosed
EP-1047691-A1 QUINOLINEPIPERAZINE AND QUINOLINEPIPERIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS COMBINED 5-HT1A, 5-HT1B AND 5-HT1D RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 2000-11-02 EP disclosed
WO-1999031086-A1 QUINOLINEPIPERAZINE AND QUINOLINEPIPERIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS COMBINED 5-HT1A, 5-HT1B AND 5-HT1D RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1999-06-24 WO 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 (2 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-20160207924-A1 2, 6-Di-Nitrogen-Containing Substituted Purine Derivative, And Preparation Method, Pharmaceutical Composition And Use Thereof NUDT1, PNP, SLC29A2 KDM4E 3865/4885MAPT 2325/4885RAD52 2295/4885
US-20030166663-A1 Use SULT2A1, SULT1A1, SLC5A1 KDM4E 918/4885MAPT 4806/4885RAD52 4760/4885

“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.