SCHEMBL8950312

SCHEMBL8950312

CC(C)n1ncnc1-c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 3/20 0.43
DGAT1 O75907 1/20 0.43
ADRA1D P25100 1/20 0.41
ADRA1A P35348 1/20 0.41
PIK3CD O00329 2/20 0.40
PIK3CB P42338 1/20 0.40
PIK3CG P48736 1/20 0.40
KDM4E B2RXH2 2/20 0.39
MAPT P10636 2/20 0.39
MAPK1 P28482 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
HTR2B P41595 1/20 0.39
PDE1A P54750 1/20 0.39
PDE1B Q01064 1/20 0.39
PDE1C Q14123 1/20 0.39
EGLN2 Q96KS0 1/20 0.37
KMT2A Q03164 1/20 0.36
HDAC1 Q13547 1/20 0.35
HDAC6 Q9UBN7 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
SCHEMBL8950122 0.83 TDP1 (0.42) PIK3CADGAT1ADRA1DADRA1APIK3CD
SCHEMBL24185681 0.81 DGAT1 (0.41) PIK3CADGAT1ADRA1DADRA1APIK3CD
SCHEMBL8950449 0.81 PIK3CD (0.48) PIK3CAPIK3CDPIK3CBPIK3CGKDM4E
SCHEMBL8950322 0.78 DGAT1 (0.41) PIK3CADGAT1ADRA1DADRA1APIK3CD
SCHEMBL8950114 0.75 ADRA1D (0.36) PIK3CADGAT1ADRA1DADRA1APIK3CD
SCHEMBL8950433 0.75 KDR (0.53) PIK3CADGAT1PIK3CDPIK3CBPIK3CG
SCHEMBL822672 0.74 NR1H2 (0.47) KDM4EMAPTMAPK1HTR2CEGLN2
SCHEMBL10304515 0.73 HDAC1 (0.48) PIK3CDKDM4EMAPTMAPK1KMT2A
SCHEMBL22403092 0.71 HPGD (0.46) KDM4EMAPTMAPK1HTR2AHTR2C
SCHEMBL8950089 0.70 PIK3CA (0.41) PIK3CADGAT1ADRA1DADRA1APIK3CD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240025879-A1 PYRIDAZINONE COMPOUNDS AND USES THEREOF EDGEWISE THERAPEUTICS, INC. 2024-01-25 US disclosed
US-11839144-B2 Tetradentate cyclometalated platinum complexes containing 9,10-dihydroacridine and its analogues ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2023-12-05 US disclosed
US-11786575-B2 Endoparasitic depsipeptides ZOETIS SERVICES LLC (US) 2023-10-17 US disclosed
US-20220211802-A1 Endoparasitic Depsipeptides ZOETIS SERVICES LLC 2022-07-07 US disclosed
US-20210217973-A1 Tetradentate Cyclometalated Platinum Complexes Containing 9,10-Dihydroacridine And Its Analogues UNIV ARIZONA STATE (US) 2021-07-15 US disclosed
US-11011712-B2 Tetradentate cyclometalated platinum complexes containing 9,10-dihydroacridine and its analogues ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2021-05-18 US disclosed
US-20180226593-A1 Tetradentate Cyclometalated Platinum Complexes Containing 9,10-Dihydroacridine And Its Analogues ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY 2018-08-09 US disclosed
US-9941479-B2 Tetradentate cyclometalated platinum complexes containing 9,10-dihydroacridine and its analogues ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2018-04-10 US disclosed
US-20150126502-A1 INHIBITORS OF POLO-LIKE KINASE ELAN PHARM INC (US) 2015-05-07 US disclosed
US-20130231335-A1 INHIBITORS OF POLO-LIKE KINASE ELAN PHARMACEUTICALS, INC. (US) 2013-09-05 US disclosed
US-8445503-B2 Inhibitors of polo-like kinase ELAN PHARMACEUTICALS, INC. (US) 2013-05-21 US disclosed
US-8188085-B2 Antifungal agents MERCK SHARP & DOHME CORP. (US) 2012-05-29 US disclosed
US-20110212942-A1 INHIBITORS OF POLO-LIKE KINASE ELAN PHARMACEUTICALS, INC. 2011-09-01 US disclosed
US-20100113439-A1 Antifungal agents MERCK & CO., INC. (US) 2010-05-06 US 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 (11 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-20180226593-A1 Tetradentate Cyclometalated Platinum Complexes Containing 9,10-Dihydroacridine And Its Analogues DPYD, DCTD, TYMP PIK3CA 2102/4885DGAT1 1581/4885ADRA1D 1850/4885
US-11011712-B2 Tetradentate cyclometalated platinum complexes containing 9,10-dihydroacridine and its analogues DPYD, DCTD, TYMP PIK3CA 2102/4885DGAT1 1581/4885ADRA1D 1850/4885
US-20110212942-A1 INHIBITORS OF POLO-LIKE KINASE PLK1, POLK, POLR2E PIK3CA 125/4885DGAT1 3972/4885ADRA1D 2899/4885
US-11786575-B2 Endoparasitic depsipeptides VIP, PREP, NGLY1 PIK3CA 1447/4885DGAT1 4110/4885ADRA1D 2336/4885
US-20210217973-A1 Tetradentate Cyclometalated Platinum Complexes Containing 9,10-Dihydroacridine And Its Analogues DPYD, DCTD, TYMP PIK3CA 2102/4885DGAT1 1581/4885ADRA1D 1850/4885
US-20220211802-A1 Endoparasitic Depsipeptides VIP, PREP, NGLY1 PIK3CA 1447/4885DGAT1 4110/4885ADRA1D 2336/4885
US-20130231335-A1 INHIBITORS OF POLO-LIKE KINASE POLK, PLK1, POLR2E PIK3CA 117/4885DGAT1 3949/4885ADRA1D 2887/4885
US-20100113439-A1 Antifungal agents GMDS, GBA3, UGGT1 PIK3CA 881/4885DGAT1 842/4885ADRA1D 2746/4885
US-20150126502-A1 INHIBITORS OF POLO-LIKE KINASE POLK, PLK1, POLR2E PIK3CA 117/4885DGAT1 3949/4885ADRA1D 2887/4885
US-11839144-B2 Tetradentate cyclometalated platinum complexes containing 9,10-dihydroacridine and its analogues DPYD, DCTD, TYMP PIK3CA 2102/4885DGAT1 1581/4885ADRA1D 1850/4885
US-20240025879-A1 PYRIDAZINONE COMPOUNDS AND USES THEREOF IL6, IL1B, IL1A PIK3CA 2577/4885DGAT1 4047/4885ADRA1D 521/4885

“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.