SCHEMBL989535

SCHEMBL989535

[c]1nccc(-c2cccnc2)n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 8/20 0.52
ALDH1A1 P00352 3/20 0.52
CYP3A4 P08684 3/20 0.52
CYP1A2 P05177 2/20 0.52
HSP90AA1 P07900 1/20 0.47
HSP90AB1 P08238 1/20 0.47
PTK2 Q05397 1/20 0.47
CYP19A1 P11511 4/20 0.46
METAP2 P50579 1/20 0.46
SIRT3 Q9NTG7 1/20 0.46
KDM4E B2RXH2 1/20 0.45
LMNA P02545 1/20 0.45
TP53 P04637 1/20 0.45
MAPT P10636 1/20 0.45
HPGD P15428 1/20 0.45
ALOX15 P16050 1/20 0.45
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HSD17B10 Q99714 1/20 0.45
AXL P30530 1/20 0.43

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
SCHEMBL990825 0.80 CYP2A6 (0.39) CYP2A6ALDH1A1CYP3A4CYP1A2
SCHEMBL12004479 0.76 HCAR2 (0.33)
SCHEMBL990826 0.75
SCHEMBL1832864 0.75 LMNA (0.43) CYP3A4CYP1A2CYP19A1KDM4ELMNA
SCHEMBL988803 0.73 CYP2A6 (0.53) CYP2A6ALDH1A1CYP3A4CYP1A2HSP90AA1
SCHEMBL29419014 0.71 CYP2A6 (1.00) CYP2A6ALDH1A1CYP3A4CYP1A2CYP19A1
SCHEMBL30473120 0.71 CYP2A6 (1.00) CYP2A6ALDH1A1CYP3A4CYP1A2CYP19A1
SCHEMBL120088 0.71 CYP2A6 (1.00) CYP2A6ALDH1A1CYP3A4CYP1A2CYP19A1
SCHEMBL943994 0.71 NISCH (0.39) CYP1A2HSP90AA1CYP19A1METAP2KDM4E
SCHEMBL15477525 0.70 KMO (0.45) CYP19A1TP53SMN1; SMN2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024051766-A1 MOLECULAR GLUE COMPOUND BASED ON CEREBLON PROTEIN DESIGN AND USE THEREOF 标新生物医药科技(上海)有限公司 2024-03-14 WO claimed
US-20220143002-A1 SULFUR-CONTAINING COMPOUND BASED ON GLUTARIMIDE SKELETON AND APPLICATION THEREOF SHANGHAITECH UNIVERSITY (CN) 2022-05-12 US claimed
EP-3932922-A1 SULFUR-CONTAINING COMPOUND BASED ON GLUTARIMIDE SKELETON AND APPLICATION THEREOF ShanghaiTech University (CN) 2022-01-05 EP claimed
US-10738028-B2 Spiro three-membered ring, spiro five-membered ring peptide deformylase inhibitor and use thereof in antibacteria and anti-tumor RUDONG RUIEN PHARMACEUTICAL TECHNOLOGY CO. LTD (CN) 2020-08-11 US claimed
US-20190194165-A1 SPIRO THREE-MEMBERED RING, SPIRO FIVE-MEMBERED RING PEPTIDE DEFORMYLASE INHIBITOR AND USE THEREOF IN ANTIBACTERIA AND ANTI-TUMOR RUDONG RUIEN PHARMACEUTICAL TECHNOLOGY CO. LTD (CN) 2019-06-27 US claimed
EP-3483155-A1 SPIRO THREE-MEMBERED RING, SPIRO FIVE-MEMBERED RING PEPTIDE DEFORMYLASE INHIBITOR AND USE THEREOF IN ANTIBACTERIA AND ANTI-TUMOUR. Rudong Ruien Pharmaceutical Technology Co., Ltd. (CN) 2019-05-15 EP claimed
WO-2011008788-A1 FLUORO-SUBSTITUTED COMPOUNDS AS KINASE INHIBITORS AND METHODS OF USE THEREOF ZHANG DAWEI (US) 2011-01-20 WO claimed
EP-0946528-A2 OXYGEN OR SULFUR CONTAINING 5-MEMBERED HETEROAROMATICS AS FACTOR Xa INHIBITORS Du Pont Pharmaceuticals Company (US) 1999-10-06 EP claimed
WO-1998028282-A2 OXYGEN OR SULFUR CONTAINING 5-MEMBERED HETEROAROMATICS AS FACTOR Xa INHIBITORS DU PONT PHARMACEUTICALS COMPANY (US) 1998-07-02 WO claimed
WO-2024051766-A1 MOLECULAR GLUE COMPOUND BASED ON CEREBLON PROTEIN DESIGN AND USE THEREOF 标新生物医药科技(上海)有限公司 2024-03-14 WO disclosed
US-20220143002-A1 SULFUR-CONTAINING COMPOUND BASED ON GLUTARIMIDE SKELETON AND APPLICATION THEREOF SHANGHAITECH UNIVERSITY (CN) 2022-05-12 US disclosed
US-11230524-B2 Myocyte enhancer factor 2 (MEF2) modulators STANDARD LLC (US) 2022-01-25 US disclosed
EP-3932922-A1 SULFUR-CONTAINING COMPOUND BASED ON GLUTARIMIDE SKELETON AND APPLICATION THEREOF ShanghaiTech University (CN) 2022-01-05 EP disclosed
US-10738028-B2 Spiro three-membered ring, spiro five-membered ring peptide deformylase inhibitor and use thereof in antibacteria and anti-tumor RUDONG RUIEN PHARMACEUTICAL TECHNOLOGY CO. LTD (CN) 2020-08-11 US disclosed
EP-1532138-A1 INHIBITORS OF TYROSINE KINASES Novartis AG (CH) 2005-05-25 EP disclosed
EP-1427415-A1 LACTAM-CONTAINING COMPOUNDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS Bristol-Myers Squibb Company (US) 2004-06-16 EP disclosed
WO-2004005281-A1 INHIBITORS OF TYROSINE KINASES NOVARTIS AG (CH) 2004-01-15 WO disclosed
WO-2003026652-A1 LACTAM-CONTAINING COMPOUNDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-04-03 WO disclosed
EP-0946508-A1 NITROGEN CONTAINING HETEROAROMATICS AS FACTOR Xa INHIBITORS Du Pont Pharmaceuticals Company (US) 1999-10-06 EP disclosed
WO-1998028269-A1 NITROGEN CONTAINING HETEROAROMATICS AS FACTOR Xa INHIBITORS DU PONT PHARMACEUTICALS COMPANY (US) 1998-07-02 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 (4 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-10738028-B2 Spiro three-membered ring, spiro five-membered ring peptide deformylase inhibitor and use thereof in antibacteria and anti-tumor PDF, HSPE1, ERAL1 CYP2A6 3026/4885ALDH1A1 1847/4885CYP3A4 2592/4885
US-11230524-B2 Myocyte enhancer factor 2 (MEF2) modulators MEF2D, MYLK2, TNNT2 CYP2A6 3964/4885ALDH1A1 4009/4885CYP3A4 4160/4885
US-20220143002-A1 SULFUR-CONTAINING COMPOUND BASED ON GLUTARIMIDE SKELETON AND APPLICATION THEREOF GLS, SQOR, GCDH CYP2A6 1769/4885ALDH1A1 958/4885CYP3A4 1182/4885
US-20190194165-A1 SPIRO THREE-MEMBERED RING, SPIRO FIVE-MEMBERED RING PEPTIDE DEFORMYLASE INHIBITOR AND USE THEREOF IN ANTIBACTERIA AND ANTI-TUMOR PDF, HSPE1, ATP5PB CYP2A6 3226/4885ALDH1A1 2044/4885CYP3A4 2784/4885

“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.