SCHEMBL3460772

SCHEMBL3460772

C[C@H](Nc1nc(N)nc(O)c1C#N)C(=O)Nc1cccc(C(F)(F)F)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ PIK3CD O00329 1/20 0.42
▸ PIK3R1 P27986 1/20 0.42
▸ ALDH1A1 P00352 3/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ IDO1 P14902 1/20 0.41
▸ P2RX1 P51575 1/20 0.40
▸ AKR1C3 P42330 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ PTGS1 P23219 1/20 0.40
▸ LMNA P02545 2/20 0.39
▸ LCK P06239 1/20 0.39
▸ TEK Q02763 1/20 0.39
▸ MAPT P10636 2/20 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
SCHEMBL964696 0.94 SMN1; SMN2 (0.47) SMN1; SMN2KDM4EPIK3CDPIK3R1ALDH1A1
SCHEMBL3460778 0.93 KDM4E (0.41) SMN1; SMN2KDM4EPIK3CDPIK3R1ALDH1A1
SCHEMBL13110111 0.91 MAPT (0.47) SMN1; SMN2KDM4EPIK3CDPIK3R1ALDH1A1
SCHEMBL3459089 0.91 PIK3CD (0.50) SMN1; SMN2KDM4EPIK3CDPIK3R1ALDH1A1
SCHEMBL14421501 0.88 SMN1; SMN2 (0.49) SMN1; SMN2KDM4EPIK3CDPIK3R1ALDH1A1
SCHEMBL10181156 0.88 SMN1; SMN2 (0.49) SMN1; SMN2KDM4EPIK3CDPIK3R1ALDH1A1
SCHEMBL3460054 0.88 SMN1; SMN2 (0.44) SMN1; SMN2KDM4EPIK3CDPIK3R1ALDH1A1
SCHEMBL10180462 0.88 SMN1; SMN2 (0.49) SMN1; SMN2KDM4EPIK3CDPIK3R1ALDH1A1
SCHEMBL12947033 0.87 SMN1; SMN2 (0.41) SMN1; SMN2KDM4EPIK3CDPIK3R1ALDH1A1
SCHEMBL963686 0.87 SMN1; SMN2 (0.41) SMN1; SMN2KDM4EPIK3CDPIK3R1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1678168-B1 P70S6 KINASE MODULATORS AND METHOD OF USE EXELIXIS INC (US) 2012-07-11 — — EP claimed
EP-1678168-B1 P70S6 KINASE MODULATORS AND METHOD OF USE EXELIXIS INC (US) 2012-07-11 — — EP disclosed
EP-1678168-B1 P70S6 KINASE MODULATORS AND METHOD OF USE EXELIXIS INC (US) 2012-07-11 — — EP disclosed
US-20110021525-A1 P70S6 Kinase Modulators and Method of Use EXELIXIS, INC. (US) 2011-01-27 — — US disclosed
US-7816353-B2 P70S6 kinase modulators and method of use EXELIXIS, INC. (US) 2010-10-19 — — US disclosed
US-7816353-B2 P70S6 kinase modulators and method of use EXELIXIS, INC. (US) 2010-10-19 — — US disclosed
US-20070208020-A1 P70S6 Kinase Modulators And Method Of Use EXELIXIS, INC. 2007-09-06 — — US disclosed
US-20070208020-A1 P70S6 Kinase Modulators And Method Of Use EXELIXIS, INC. 2007-09-06 — — 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 (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-20110021525-A1 P70S6 Kinase Modulators and Method of Use EEF2K, RPS6KA3, MTOR SMN1; SMN2 2850/4885KDM4E 1347/4885PIK3CD 84/4885
US-20070208020-A1 P70S6 Kinase Modulators And Method Of Use EEF2K, RPS6KA3, MTOR SMN1; SMN2 2850/4885KDM4E 1347/4885PIK3CD 84/4885

“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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