Sugi Predict

Sugi Predict / Compounds / SCHEMBL12607271

SCHEMBL12607271

SCHEMBL12607271

CCc1ccc(-c2c(-c3ccccc3)oc3ncnc(O[C@@H]4CCCN(CCCC(=O)O)C4)c23)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TNK2 Q07912 13/20 0.42
▸ LCK P06239 9/20 0.42
▸ EGFR P00533 3/20 0.42
▸ SRC P12931 2/20 0.42
▸ KDR P35968 2/20 0.42
▸ ZAP70 P43403 2/20 0.42
▸ JAK3 P52333 2/20 0.42
▸ JAK2 O60674 1/20 0.42
▸ AURKA O14965 3/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ USP2 O75604 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ CHEK1 O14757 1/20 0.39
▸ CHRNB2 P17787 1/20 0.39
▸ CHRNB4 P30926 1/20 0.39

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
SCHEMBL4788763 1.00 TNK2 (0.42) TNK2LCKEGFRSRCKDR
SCHEMBL1784266 0.94 TNK2 (0.43) TNK2LCKEGFRSRCKDR
SCHEMBL1786857 0.94 TNK2 (0.43) TNK2LCKEGFRSRCKDR
SCHEMBL4789353 0.92 TNK2 (0.44) TNK2LCKEGFRSRCKDR
SCHEMBL14467158 0.92 CHRNB4 (0.38) TNK2LCKEGFRSRCKDR
SCHEMBL1787145 0.92 CHRNB4 (0.38) TNK2LCKEGFRSRCKDR
SCHEMBL4750471 0.91 TNK2 (0.47) TNK2LCKEGFRSRCKDR
SCHEMBL12607280 0.91 AURKA (0.41) TNK2LCKEGFRSRCKDR
SCHEMBL12607278 0.89 EGFR (0.41) TNK2LCKEGFRSRCKDR
Formic Acid SCHEMBL1787516 0.89 CHRNB4 (0.36) TNK2LCKEGFRSRCKDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8324222-B2 Cyclically substituted furopyrimidine derivatives and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-12-04 — — US disclosed
US-8324222-B2 Cyclically substituted furopyrimidine derivatives and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-12-04 — — US disclosed
US-20110124665-A1 Novel, Cyclically Substituted Furopyrimidine Derivatives and Use Thereof BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-05-26 — — US disclosed
US-20110124665-A1 Novel, Cyclically Substituted Furopyrimidine Derivatives and Use Thereof BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-05-26 — — US disclosed
WO-2008131859-A2 USE OF CYCLICALLY SUBSTITUTED FUROPYRIMIDINE DERIVATIVES FOR TREATING PULMONARY ARTERIAL HYPERTONIA BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-11-06 — — 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 (1 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-20110124665-A1 Novel, Cyclically Substituted Furopyrimidine Derivatives and Use Thereof DPYD, TK2, TPMT TNK2 1169/4885LCK 840/4885EGFR 4141/4885

“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.