Sugi Predict

Sugi Predict / Compounds / SCHEMBL12269751

SCHEMBL12269751

SCHEMBL12269751

Nc1cccc(C#Cc2n[nH]c3ccccc23)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 2/20 0.58
▸ MTOR P42345 2/20 0.58
▸ PDK1 Q15118 2/20 0.58
▸ AURKA O14965 1/20 0.54
▸ PDPK1 O15530 2/20 0.46
▸ KDM4E B2RXH2 2/20 0.46
▸ GAA P10253 2/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ ADRB2 P07550 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ HCRTR1 O43613 1/20 0.41
▸ KDR P35968 1/20 0.38
▸ ABL1 P00519 1/20 0.38
▸ RET P07949 1/20 0.38
▸ ASIC3 Q9UHC3 1/20 0.38
▸ FADS1 O60427 2/20 0.37
▸ TTK P33981 2/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ ALPL P05186 1/20 0.37

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
SCHEMBL12269728 0.83 PIK3CA (0.55) PIK3CAMTORPDK1AURKAPDPK1
SCHEMBL7982776 0.82 KDM4E (0.48) PIK3CAMTORPDK1PDPK1KDM4E
SCHEMBL30055557 0.82 FADS1 (0.49) PIK3CAMTORPDK1AURKAPDPK1
SCHEMBL4006815 0.81 MAPT (0.46) PIK3CAMTORPDK1AURKAPDPK1
SCHEMBL12269817 0.76 FADS1 (0.41) AURKAPDPK1KDM4EGAACYP3A4
SCHEMBL12269760 0.75 PIK3CA (0.54) PIK3CAMTORPDK1AURKAPDPK1
SCHEMBL12269820 0.75 PIK3CA (0.57) PIK3CAMTORPDK1PDPK1KDM4E
SCHEMBL17887974 0.74 KDM4E (0.48) AURKAPDPK1KDM4EGAACYP3A4
SCHEMBL12269664 0.74 ITK (0.44) PIK3CAMTORPDK1PDPK1KDM4E
SCHEMBL4968126 0.73 CYP3A4 (0.58) PIK3CAMTORPDK1CYP3A4ADRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110212961-A1 Pyrazole Derivatives as Kinase Inhibitors BURNHAM INSTITUTE FOR MEDICAL RESEARCH 2011-09-01 — — US disclosed
US-20110212961-A1 Pyrazole Derivatives as Kinase Inhibitors BURNHAM INSTITUTE FOR MEDICAL RESEARCH 2011-09-01 — — US disclosed
US-7951832-B2 Pyrazole derivatives as kinase inhibitors BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2011-05-31 — — US disclosed
US-7951832-B2 Pyrazole derivatives as kinase inhibitors BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2011-05-31 — — US disclosed
US-20090124621-A1 PYRAZOLE DERIVATIVES AS KINASE INHIBITORS BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2009-05-14 — — US disclosed
US-20090124621-A1 PYRAZOLE DERIVATIVES AS KINASE INHIBITORS BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2009-05-14 — — US disclosed
WO-2009059030-A1 PYRAZOLE DERIVATIVES AS KINASE INHIBITORS BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2009-05-07 — — 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 (2 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-20090124621-A1 PYRAZOLE DERIVATIVES AS KINASE INHIBITORS BRAF, MAP3K1, MAP3K3 PIK3CA 36/4885MTOR 75/4885PDK1 78/4885
US-20110212961-A1 Pyrazole Derivatives as Kinase Inhibitors BRAF, MAP3K1, MAP3K3 PIK3CA 36/4885MTOR 75/4885PDK1 78/4885

“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.