SCHEMBL1898299

SCHEMBL1898299

CCNc1nc(C)cc(NC2CCCCC2)n1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.70
▸ SMN1; SMN2 Q16637 2/20 0.70
▸ HTT P42858 2/20 0.70
▸ CYP1A2 P05177 1/20 0.70
▸ CYP2D6 P10635 1/20 0.70
▸ DNM2 P50570 1/20 0.59
▸ KCNN2 Q9H2S1 1/20 0.51
▸ KCNN3 Q9UGI6 1/20 0.51
▸ MEN1 O00255 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ TDP1 Q9NUW8 1/20 0.50
▸ ADORA3 P0DMS8 1/20 0.48
▸ CXCR4 P61073 4/20 0.46
▸ NUDT1 P36639 1/20 0.46
▸ KDM4E B2RXH2 2/20 0.45
▸ ALDH1A1 P00352 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ GPR39 O43194 1/20 0.42
▸ PTGS2 P35354 1/20 0.41
▸ VCP P55072 1/20 0.41

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
SCHEMBL16608746 0.77 LMNA (0.50) LMNASMN1; SMN2HTTDNM2MEN1
SCHEMBL11652757 0.76 LMNA (0.42) LMNASMN1; SMN2HTTCYP1A2CYP2D6
SCHEMBL6128335 0.75 KCNN2 (0.56) LMNASMN1; SMN2HTTCYP1A2CYP2D6
SCHEMBL14233966 0.75 NUDT1 (0.71) LMNASMN1; SMN2HTTCYP1A2CYP2D6
SCHEMBL25166554 0.74 NOS3 (0.48) LMNASMN1; SMN2HTTDNM2MEN1
SCHEMBL11657012 0.73 CYP1A2 (0.40) LMNASMN1; SMN2HTTCYP1A2CYP2D6
SCHEMBL29770768 0.73 KCNN2 (0.54) LMNASMN1; SMN2HTTCYP1A2CYP2D6
SCHEMBL25166304 0.73 KCNN2 (0.54) LMNASMN1; SMN2HTTCYP1A2CYP2D6
SCHEMBL8349354 0.73 KMT2A (0.58) LMNACYP1A2MEN1KMT2AKDM4E
SCHEMBL20440655 0.73 KCNN2 (0.52) LMNASMN1; SMN2HTTCYP1A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2322523-B1 Process for the preparation of Pyridopyrimidinone Inhibitors of PI3Kalpha EXELIXIS INC (US) 2019-01-02 — — EP disclosed
EP-2322523-B1 Process for the preparation of Pyridopyrimidinone Inhibitors of PI3Kalpha EXELIXIS INC (US) 2019-01-02 — — EP disclosed
CN-102727498-B Use the Therapeutic Method of Pyridopyrimidinone PI3K alpha inhibitor 埃克塞里艾克西斯公司 2016-08-03 — — CN disclosed
EP-2139484-B9 METHODS OF TREATING CANCER USING PYRIDOPYRIMIDINONE INHIBITORS OF PI3K ALPHA EXELIXIS INC (US) 2014-06-11 — — EP disclosed
EP-2139484-B9 METHODS OF TREATING CANCER USING PYRIDOPYRIMIDINONE INHIBITORS OF PI3K ALPHA EXELIXIS INC (US) 2014-06-11 — — EP disclosed
US-8513266-B2 Methods of treating cancer using pyridopyrimidinone inhibitors of PI3K alpha EXELIXIS, INC. (US) 2013-08-20 — — US disclosed
US-8513266-B2 Methods of treating cancer using pyridopyrimidinone inhibitors of PI3K alpha EXELIXIS, INC. (US) 2013-08-20 — — US disclosed
US-8513266-B2 Methods of treating cancer using pyridopyrimidinone inhibitors of PI3K alpha EXELIXIS, INC. (US) 2013-08-20 — — US disclosed
EP-1940839-B1 PYRIDOPYRIMIDINONE INHIBITORS OF PI3Kalpha EXELIXIS INC (US) 2013-07-31 — — EP disclosed
EP-2139484-B1 METHODS OF TREATING CANCER USING PYRIDOPYRIMIDINONE INHIBITORS OF PI3K ALPHA EXELIXIS INC (US) 2013-07-17 — — EP disclosed
EP-2139484-A1 METHODS OF TREATING CANCER USING PYRIDOPYRIMIDINONE INHIBITORS OF PI3K ALPHA Exelixis, Inc. (US) 2010-01-06 — — EP disclosed
US-20090270430-A1 Pyridopyrimidinone Inhibitors of Pl3Kalpha EXELIXIX, INC. (US) 2009-10-29 — — US disclosed
US-20090270430-A1 Pyridopyrimidinone Inhibitors of Pl3Kalpha EXELIXIX, INC. (US) 2009-10-29 — — US disclosed
US-20090270430-A1 Pyridopyrimidinone Inhibitors of Pl3Kalpha EXELIXIX, INC. (US) 2009-10-29 — — US disclosed
CN-101395155-A Pyridopyrimidinone inhibitors of pi3k alpha EXELIXIS INC (US) 2009-03-25 — — CN disclosed
WO-2008124161-A1 METHODS OF TREATING CANCER USING PYRIDOPYRIMIDINONE INHIBITORS OF PI3K ALPHA EXELIXIS, INC. (US) 2008-10-16 — — WO disclosed
WO-2008124161-A1 METHODS OF TREATING CANCER USING PYRIDOPYRIMIDINONE INHIBITORS OF PI3K ALPHA EXELIXIS, INC. (US) 2008-10-16 — — WO disclosed
EP-1940839-A1 PYRIDOPYRIMIDINONE INHIBITORS OF PI3Kalpha Exelixis, Inc. (US) 2008-07-09 — — EP disclosed
WO-2007044813-A1 PYRIDOPYRIMIDINONE INHIBITORS OF PI3Kα EXELIXIS, INC. (US) 2007-04-19 — — WO disclosed
WO-2007044813-A1 PYRIDOPYRIMIDINONE INHIBITORS OF PI3Kα EXELIXIS, INC. (US) 2007-04-19 — — 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-20090270430-A1 Pyridopyrimidinone Inhibitors of Pl3Kalpha PLK3, PLK4, PLK2 LMNA 303/4885SMN1; SMN2 2769/4885HTT 4197/4885

“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.

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