Sugi Predict

Sugi Predict / Compounds / SCHEMBL5620074

SCHEMBL5620074

SCHEMBL5620074

CC(C)(C)n1nc(-c2ccc(O)cc2)c2c(N)ncnc21

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 19/20 0.78
▸ ABL1 P00519 10/20 0.78
▸ EGFR P00533 4/20 0.78
▸ KDR P35968 4/20 0.78
▸ MTOR P42345 3/20 0.78
▸ KDM4E B2RXH2 2/20 0.78
▸ RIPK2 O43353 2/20 0.78
▸ ALDH1A1 P00352 2/20 0.78
▸ LMNA P02545 2/20 0.78
▸ LCK P06239 2/20 0.78
▸ FYN P06241 2/20 0.78
▸ YES1 P07947 2/20 0.78
▸ LYN P07948 2/20 0.78
▸ PDGFRA P16234 2/20 0.78
▸ PRKACA P17612 2/20 0.78
▸ FRK P42685 2/20 0.78
▸ HTT P42858 2/20 0.78
▸ MAPK9 P45984 2/20 0.78
▸ CSNK1A1 P48729 2/20 0.78
▸ CSNK1D P48730 2/20 0.78

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
SCHEMBL14617301 0.93 SRC (0.89) SRCABL1EGFRKDRMTOR
SCHEMBL409444 0.89 SRC (0.82) SRCABL1EGFRKDRMTOR
SCHEMBL407934 0.88 SRC (1.00) SRCABL1EGFRKDRMTOR
SCHEMBL29432587 0.88 SRC (1.00) SRCABL1EGFRKDRMTOR
SCHEMBL3610160 0.86 SRC (0.95) SRCABL1EGFRKDRMTOR
SCHEMBL1962682 0.86 SRC (0.78) SRCABL1EGFRKDRMTOR
SCHEMBL29355398 0.86 SRC (1.00) SRCABL1EGFRKDRMTOR
SCHEMBL3695039 0.86 KDM4E (1.00) SRCABL1EGFRKDRMTOR
SCHEMBL375322 0.86 SRC (1.00) SRCABL1EGFRKDRMTOR
SCHEMBL409031 0.86 SRC (1.00) SRCABL1EGFRKDRMTOR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021036022-A1 PET/CT TRACER HAVING SELECTIVITY FOR DIFFERENT LUNG CANCER CELLS, PREPARATION METHOD THEREFOR AND USE THEREOF 四川大学华西医院 2021-03-04 — — WO disclosed
US-20190263822-A1 PYRAZOLO [3,4-d] PYRIMIDINE DERIVATIVE WEST CHINA HOSPITAL, SICHUAN UNIVERSITY (CN) 2019-08-29 — — US disclosed
WO-2009062118-A2 MODULATION OF PROTEIN TRAFFICKING FOLDRX PHARMACEUTICALS, INC. (US) 2009-05-14 — — WO disclosed
US-7173039-B2 Protein kinase inhibitors THERAVANCE, INC. (US) 2007-02-06 — — US disclosed
US-7037912-B2 Protein kinase inhibitors THERAVANCE, INC. (US) 2006-05-02 — — US disclosed
US-20050261318-A1 Protein kinase inhibitors THERAVANCE BIOPHARMA R&D IP, LLC 2005-11-24 — — US disclosed
US-20040235870-A1 Enzyme inhibitor contains two or more ligand moieties comprising pyrimidinyl groups covalently linked together by linking groups; keratitis, diabetic retinopathy, angiogenesis, vision defects, ischemia, atherosclerosis,psoriasis, cancer, cirrhosis, diabetes, arthritis, autoimmune disease THERAVANCE BIOPHARMA R&D IP, LLC 2004-11-25 — — US disclosed
US-6750241-B2 Protein kinase inhibitors THERAVANCE, INC. 2004-06-15 — — US disclosed
US-20020177600-A1 Protein kinase inhibitors THERAVANCE BIOPHARMA R&D IP, LLC 2002-11-28 — — US disclosed
US-20020002169-A1 Protein kinase inhibitors THERAVANCE BIOPHARMA R&D IP, LLC 2002-01-03 — — 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 (5 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-20020177600-A1 Protein kinase inhibitors MAP3K20, MAP3K9, MAP3K6 SRC 77/4885ABL1 131/4885EGFR 780/4885
US-20020002169-A1 Protein kinase inhibitors MAP3K20, MAP3K6, MAP4K2 SRC 100/4885ABL1 134/4885EGFR 683/4885
US-20190263822-A1 PYRAZOLO [3,4-d] PYRIMIDINE DERIVATIVE DPYD, PDCD4, PDK1 SRC 1612/4885ABL1 1982/4885EGFR 886/4885
US-20050261318-A1 Protein kinase inhibitors MAP3K20, MAP3K6, MAP4K2 SRC 100/4885ABL1 134/4885EGFR 683/4885
US-20040235870-A1 Enzyme inhibitor contains two or more ligand moieties comprising pyrimidinyl groups covalently linked together by linking groups; keratitis, diabetic retinopathy, angiogenesis, vision defects, ischemia, atherosclerosis,psoriasis, cancer, cirrhosis, diabetes, arthritis, autoimmune disease UACA, PRKDC, CDK2 SRC 1417/4885ABL1 1621/4885EGFR 512/4885

“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.