SCHEMBL3707047

SCHEMBL3707047

CC1(CNC(=O)O)CCNCC1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 1/20 0.45
KDM4E B2RXH2 1/20 0.37
KMT2A Q03164 1/20 0.37
OPRM1 P35372 3/20 0.36
OPRL1 P41146 1/20 0.36
TYRO3 Q06418 1/20 0.33
NPFFR1 Q9GZQ6 1/20 0.31
NPFFR2 Q9Y5X5 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31
CYP1A2 P05177 1/20 0.31
FFAR3 O14843 1/20 0.30

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
SCHEMBL22495635 0.94 SMYD3 (0.42) SMYD3KDM4EKMT2AOPRM1OPRL1
SCHEMBL3713521 0.89 SMYD3 (0.37) SMYD3KDM4EKMT2AOPRM1OPRL1
SCHEMBL2343051 0.85
SCHEMBL2332843 0.81 KDM4E (0.35) SMYD3KDM4EKMT2AOPRM1
SCHEMBL14919408 0.79 IRAK4 (0.33) SMYD3OPRM1OPRL1
SCHEMBL1035968 0.79 CYP2D6 (0.33) OPRM1OPRL1CYP2D6CYP2C19
SCHEMBL13548553 0.78 SMYD3 (0.41) SMYD3KDM4EKMT2AOPRM1OPRL1
SCHEMBL1313231 0.78 SMYD3 (0.44) SMYD3KDM4EKMT2AOPRM1NPFFR1
SCHEMBL3703096 0.77 OPRM1 (0.36) SMYD3KDM4EKMT2AOPRM1NPFFR1
SCHEMBL20660355 0.76 KDM4E (0.37) KDM4EKMT2AOPRM1NPFFR1NPFFR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12037345-B2 Heterobicyclic compounds for inhibiting the activity of SHP2 TAIHO PHARMACEUTICAL CO., LTD. (JP) 2024-07-16 US disclosed
US-12029739-B2 SHP2 inhibitor and use thereof KANAPH THERAPEUTICS INC. (KR) 2024-07-09 US disclosed
US-20240199609-A1 COMPOUNDS AND COMPOSITIONS FOR INHIBITING THE ACTIVITY OF SHP2 NOVARTIS AG (CH) 2024-06-20 US disclosed
EP-4385991-A1 COMPOUND HAVING SHP2 PROTEIN DEGRADING ACTIVITY, AND MEDICAL USES THEREOF Ubix Therapeutics, Inc. (KR) 2024-06-19 EP disclosed
US-20240189306-A1 SHP2 INHIBITOR AND USE THEREOF KANAPH THERAPEUTICS INC. (KR) 2024-06-13 US disclosed
EP-4368625-A1 SHP2 INHIBITOR AND USE THEREOF Kanaph Therapeutics Inc. (KR) 2024-05-15 EP disclosed
EP-3753941-B1 PYRIMIDINE-FUSED CYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF SHANGHAI BLUERAY BIOPHARMA CO LTD (CN) 2024-05-01 EP disclosed
WO-2024085699-A1 COMPOUND FOR SHP2 PROTEIN DEGRADATION AND MEDICAL USES THEREOF 주식회사 유빅스테라퓨틱스 2024-04-25 WO disclosed
US-20240116878-A1 2,5-DISUBSTITUTED 3-METHYL PYRAZINES AND 2,5,6-TRISUBSTITUTED 3-METHYL PYRAZINES AS ALLOSTERIC SHP2 INHIBITORS WILMINGTON TRUST, NATIONAL ASSOCIATION, AS AGENT 2024-04-11 US disclosed
US-11905283-B2 Compounds and compositions for inhibiting the activity of SHP2 NOVARTIS AG (CH) 2024-02-20 US disclosed
WO-2015107494-A1 1 -(TRIAZIN-3-YI_/PYRIDAZIN-3-YL)-PIPER(-AZINE)IDINE DERIVATIVES AND COMPOSITIONS THEREOF FOR INHIBITING THE ACTIVITY OF SHP2 NOVARTIS AG (CH) 2015-07-23 WO disclosed
EP-2699569-A2 AMINOPYRIMIDINE KINASE INHIBITORS Jasco Pharmaceuticals LLC (US) 2014-02-26 EP disclosed
WO-2012145617-A9 AMINOPYRIMIDINE KINASE INHIBITORS Jasco Pharmaceuticals, LLC (US) 2014-02-20 WO disclosed
US-8551981-B2 Furo[3,2-d]pyrimidine compounds ABBVIE INC. (US) 2013-10-08 US disclosed
EP-2624698-A1 FURO[3,2-d]PYRIMIDINE COMPOUNDS AbbVie Inc. (US) 2013-08-14 EP disclosed
EP-2565194-A1 IMIDAZO[1,2-a]PYRIDINE DERIVATIVE Astellas Pharma Inc. (JP) 2013-03-06 EP disclosed
US-20130053363-A1 IMIDAZO[1,2-a]PYRIDINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2013-02-28 US disclosed
WO-2012145617-A2 AMINOPYRIMIDINE KINASE INHIBITORS Jasco Pharmaceuticals, LLC (US) 2012-10-26 WO disclosed
US-20120122846-A1 FURO[3,2-d]PYRIMIDINE COMPOUNDS ABBOTT LABORATORIES (US) 2012-05-17 US disclosed
WO-2012048222-A1 FURO[3,2-d]PYRIMIDINE COMPOUNDS ABBOTT LABORATORIES (US) 2012-04-12 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 (8 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-20240116878-A1 2,5-DISUBSTITUTED 3-METHYL PYRAZINES AND 2,5,6-TRISUBSTITUTED 3-METHYL PYRAZINES AS ALLOSTERIC SHP2 INHIBITORS PTPN5, PTPN2, PTPN22 SMYD3 1128/4885KDM4E 597/4885KMT2A 637/4885
US-20120122846-A1 FURO[3,2-d]PYRIMIDINE COMPOUNDS CDK2, DPYD, CDK3 SMYD3 4180/4885KDM4E 3815/4885KMT2A 3528/4885
US-20240189306-A1 SHP2 INHIBITOR AND USE THEREOF PTPN1, PTPN5, PTPN2 SMYD3 1280/4885KDM4E 1134/4885KMT2A 1019/4885
US-11905283-B2 Compounds and compositions for inhibiting the activity of SHP2 PTPN1, PTPN2, PTPN5 SMYD3 1437/4885KDM4E 943/4885KMT2A 1080/4885
US-12029739-B2 SHP2 inhibitor and use thereof PTPN1, PTPN5, PTPN2 SMYD3 1280/4885KDM4E 1134/4885KMT2A 1019/4885
US-20130053363-A1 IMIDAZO[1,2-a]PYRIDINE DERIVATIVE PDE4B, PDE4A, PDE4C SMYD3 2387/4885KDM4E 586/4885KMT2A 1312/4885
US-20240199609-A1 COMPOUNDS AND COMPOSITIONS FOR INHIBITING THE ACTIVITY OF SHP2 PTPN1, PTPN2, PTPN5 SMYD3 1437/4885KDM4E 943/4885KMT2A 1080/4885
US-12037345-B2 Heterobicyclic compounds for inhibiting the activity of SHP2 PTPN1, PTPN9, PTPN7 SMYD3 2035/4885KDM4E 648/4885KMT2A 1327/4885

“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.