SCHEMBL7170412

SCHEMBL7170412

O=c1[nH]c(=O)c2ncn(C=Cc3ccccc3)c2[nH]1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.41
▸ DPYD Q12882 1/20 0.39
▸ MEN1 O00255 3/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ POLB P06746 2/20 0.38
▸ KDM4E B2RXH2 3/20 0.35
▸ CYP1A2 P05177 2/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ BLM P54132 2/20 0.35
▸ TDP1 Q9NUW8 2/20 0.35
▸ PABPC1 P11940 1/20 0.35
▸ ADORA2A P29274 1/20 0.35
▸ ADORA2B P29275 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ CASP7 P55210 1/20 0.35
▸ PMP22 Q01453 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ TUBB4A P04350 1/20 0.35
▸ TUBB P07437 1/20 0.35
▸ TUBA3C P0DPH7 1/20 0.35

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
SCHEMBL158477 0.72 ALDH1A1 (0.73) ALDH1A1KDM4ECYP1A2RAB9ABLM
SCHEMBL3651174 0.69 ALDH1A1 (0.43) ALDH1A1MEN1KMT2APOLBKDM4E
SCHEMBL6360069 0.69 PNP (0.58) ALDH1A1KMT2AKDM4EADORA2AHSD17B10
SCHEMBL2352519 0.68 PNP (0.43) ALDH1A1MEN1KMT2APOLBKDM4E
SCHEMBL6275156 0.66 PNP (0.42) ALDH1A1MEN1KMT2APOLBKDM4E
SCHEMBL10998 0.65 GDA (0.53) ALDH1A1MEN1KMT2APOLBKDM4E
SCHEMBL133948 0.65 PNP (0.41) ALDH1A1MEN1KMT2APOLBKDM4E
SCHEMBL9949248 0.65 PNP (0.41) ALDH1A1MEN1KMT2APOLBKDM4E
SCHEMBL8356642 0.65 PNP (0.41) ALDH1A1MEN1KMT2APOLBKDM4E
SCHEMBL8963953 0.65 DPYD (0.42) ALDH1A1DPYDMEN1KMT2APOLB

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6329349-B1 CARDIOVASCULAR DISORDERS USING CARDIOPROTECTIVE AGENTS TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA 2001-12-11 — — US claimed
US-6211165-B1 GENE EXPRESSION; BINARY CONJUGATES THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA 2001-04-03 — — US claimed
CN-119139469-A Application of adenosine receptor inhibitor in preparing medicament for treating hyperlipidemia and cardiovascular and cerebrovascular diseases 武汉大学 2024-12-17 — — CN disclosed
US-20230017597-A1 8-SUBSTITUTED STYRYL XANTHINE DERIVATIVES AND USES THEREOF SUNSHINE LAKE PHARMA CO., LTD. (CN) 2023-01-19 — — US disclosed
WO-2021093701-A1 8-SUBSTITUTED STYRYL XANTHINE DERIVATIVES AND USES THEREOF SUNSHINE LAKE PHARMA CO., LTD. (CN) 2021-05-20 — — WO disclosed
WO-2021093701-A1 8-SUBSTITUTED STYRYL XANTHINE DERIVATIVES AND USES THEREOF SUNSHINE LAKE PHARMA CO., LTD. (CN) 2021-05-20 — — WO disclosed
WO-2021093701-A1 8-SUBSTITUTED STYRYL XANTHINE DERIVATIVES AND USES THEREOF SUNSHINE LAKE PHARMA CO., LTD. (CN) 2021-05-20 — — WO disclosed
CN-110041331-B Styrylxanthine derivative and use thereof 广东东阳光药业有限公司 2020-08-07 — — CN disclosed
CN-110041331-B Styrylxanthine derivative and use thereof 广东东阳光药业有限公司 2020-08-07 — — CN disclosed
CN-110041331-B Styrylxanthine derivative and use thereof 广东东阳光药业有限公司 2020-08-07 — — CN disclosed
WO-2020125779-A1 8-SUBSTITUTED STYRYL XANTHINE DERIVATIVES AND USES THEREOF SUNSHINE LAKE PHARMA CO., LTD. (CN) 2020-06-25 — — WO disclosed
CN-110041331-A Styryl xanthine derivative and application thereof 广东东阳光药业有限公司 2019-07-23 — — CN disclosed
CN-110041331-A Styryl xanthine derivative and application thereof 广东东阳光药业有限公司 2019-07-23 — — CN disclosed
US-6586413-B2 Methods and compositions for reducing ischemic injury of the heart by administering adenosine receptor agonists and antagonists THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES 2003-07-01 — — US disclosed
EP-0991414-A4 METHODS AND COMPOSITIONS FOR REDUCING ISCHEMIC INJURY OF THE HEART BY ADMINISTERING ADENOSINE RECEPTOR AGONISTS AND ANTAGONISTS UNIV PENNSYLVANIA (US) 2002-10-02 — — EP disclosed
US-6329349-B1 CARDIOVASCULAR DISORDERS USING CARDIOPROTECTIVE AGENTS TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA 2001-12-11 — — US disclosed
EP-0991414-A1 METHODS AND COMPOSITIONS FOR REDUCING ISCHEMIC INJURY OF THE HEART BY ADMINISTERING ADENOSINE RECEPTOR AGONISTS AND ANTAGONISTS TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2000-04-12 — — EP disclosed
WO-1999020284-A1 METHODS FOR REDUCING ISCHEMIC INJURY OF THE HEART VIA THE SEQUENTIAL ADMINISTRATION OF MONOPHOSPHORYL LIPID A AND ADENOSINE RECEPTOR AGENTS TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 1999-04-29 — — WO disclosed
US-5859019-A Methods for protecting against cardiac ischemia by administering adenosine A2a receptor antagonists TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 1999-01-12 — — US disclosed
WO-1998050047-A1 METHODS AND COMPOSITIONS FOR REDUCING ISCHEMIC INJURY OF THE HEART BY ADMINISTERING ADENOSINE RECEPTOR AGONISTS AND ANTAGONISTS TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 1998-11-12 — — 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 (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-20230017597-A1 8-SUBSTITUTED STYRYL XANTHINE DERIVATIVES AND USES THEREOF ADORA2A, ADORA3, ADORA2B ALDH1A1 465/4885DPYD 639/4885MEN1 4757/4885

“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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