SCHEMBL2373522

SCHEMBL2373522

CC(C)CN1CCNC1=O

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 5/20 0.48
PER2 O15055 3/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
POLB P06746 4/20 0.43
ALDH1A1 P00352 2/20 0.43
CRY2 Q49AN0 1/20 0.40
MAPT P10636 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
KDM4E B2RXH2 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 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
SCHEMBL5251244 1.00 PIK3CD (0.48) PIK3CDPER2MEN1KMT2ASMN1; SMN2
SCHEMBL8283567 0.88 PIK3CD (0.55) PIK3CDPER2SMN1; SMN2POLBALDH1A1
SCHEMBL1742992 0.83 PER2 (0.49) PER2MEN1KMT2ASMN1; SMN2POLB
SCHEMBL10849824 0.83 PER2 (0.42) PIK3CDPER2MEN1KMT2ASMN1; SMN2
SCHEMBL6289549 0.80 PER2 (0.40) PER2MEN1KMT2ASMN1; SMN2POLB
SCHEMBL104008 0.79 SMN1; SMN2 (0.45) PIK3CDMEN1KMT2ASMN1; SMN2POLB
SCHEMBL20651505 0.79 PER2 (0.39) PIK3CDPER2MEN1KMT2ASMN1; SMN2
SCHEMBL20773941 0.79 PER2 (0.39) PIK3CDPER2MEN1KMT2ASMN1; SMN2
SCHEMBL9427330 0.78 PER2 (0.44) PER2MEN1KMT2ASMN1; SMN2POLB
SCHEMBL900381 0.78 PER2 (0.51) PER2MEN1KMT2ASMN1; SMN2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010025871-A1 4-HALOGEN ALKYL-SUBSTITUTED DIAMINOPYRIMIDINES FOR USE AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2010-03-11 WO claimed
US-11731956-B2 Substituted 1,2,4-triazoles as intermediates in the synthesis of TYK2 inhibitors ALUMIS INC. (US) 2023-08-22 US disclosed
US-11731956-B2 Substituted 1,2,4-triazoles as intermediates in the synthesis of TYK2 inhibitors ALUMIS INC. (US) 2023-08-22 US disclosed
US-20230021554-A1 TYK2 INHIBITORS AND USES THEREOF ALUMIS INC. 2023-01-26 US disclosed
US-20230023761-A1 SUBSTITUTED PYRIDINES AS TYK2 INHIBITORS ALUMIS INC. 2023-01-26 US disclosed
US-11053219-B2 Substituted pyridines as TYK2 inhibitors ESKER THERAPEUTICS, INC. (US) 2021-07-06 US disclosed
US-20200354338-A1 TYK2 INHIBITORS AND USES THEREOF ALUMIS INC. 2020-11-12 US disclosed
CN-102234267-A Novel triazole antifungal compounds, and medicinal composition, preparation method and application thereof SHANGHAI INST MATERIA MEDICA 2011-11-09 CN disclosed
WO-2011119704-A1 TRPV4 ANTAGONISTS GLAXOSMITHKLINE LLC (US) 2011-09-29 WO disclosed
WO-2011119704-A1 TRPV4 ANTAGONISTS GLAXOSMITHKLINE LLC (US) 2011-09-29 WO disclosed
US-20020049194-A1 Benzoheterocyclic derivatives OGAWA HIDENORI (JP) 2002-04-25 US disclosed
US-6335327-B1 Benzoheterocyclic derivatives OTSUKA PHARMACEUTICALS CO., LTD. (JP) 2002-01-01 US disclosed
EP-0779887-B1 NOVEL BENZIMIDAZOLE DERIVATIVES HAVING CGMP-PHOSPHODIESTERASE INHIBITING ACTIVITY OTSUKA PHARMA CO LTD (JP) 2001-05-23 EP disclosed
US-6096735-A Benzoheterocyclic derivatives OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 2000-08-01 US disclosed
US-5998437-A ARTERIOSCLEROSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1999-12-07 US disclosed
EP-0779887-A1 NOVEL BENZIMIDAZOLE DERIVATIVES HAVING CGMP-PHOSPHODISTERASE INHIBITING ACTIVITY OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-06-25 EP disclosed
EP-0765314-A1 BENZOHETEROCYCLIC DERIVATIVES USEFUL AS VASOPRESSIN OR OXYTOCIN MODULATORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-04-02 EP disclosed
WO-1997003070-A1 NOVEL BENZIMIDAZOLE DERIVATIVES HAVING CGMP-PHOSPHODISTERASE INHIBITING ACTIVITY OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-01-30 WO disclosed
WO-1995034540-A1 BENZOHETEROCYCLIC DERIVATIVES USEFUL AS VASOPRESSIN OR OXYTOCIN MODULATORS OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1995-12-21 WO disclosed
CN-1064077-A Bicyclic ethers with weeding activity DU PONT (US) 1992-09-02 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 (6 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-11053219-B2 Substituted pyridines as TYK2 inhibitors TYK2, JAK1, PDXK PIK3CD 1731/4885PER2 1143/4885MEN1 1246/4885
US-20230021554-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK1, JAK2 PIK3CD 2096/4885PER2 1616/4885MEN1 1061/4885
US-20230023761-A1 SUBSTITUTED PYRIDINES AS TYK2 INHIBITORS TYK2, JAK1, PDXK PIK3CD 2363/4885PER2 1564/4885MEN1 925/4885
US-20200354338-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK1, JAK2 PIK3CD 2096/4885PER2 1616/4885MEN1 1061/4885
US-20020049194-A1 Benzoheterocyclic derivatives AVPR2, AVPR1A, AVPR1B PIK3CD 4510/4885PER2 1462/4885MEN1 1227/4885
US-11731956-B2 Substituted 1,2,4-triazoles as intermediates in the synthesis of TYK2 inhibitors TYK2, JAK1, JAK3 PIK3CD 1502/4885PER2 2374/4885MEN1 727/4885

“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.