SCHEMBL963926

SCHEMBL963926

CCOc1nc(N)nc(NNC(=O)Nc2cccc(C(F)(F)F)c2)c1C#N

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.48
▸ LMNA P02545 1/20 0.48
▸ KDR P35968 4/20 0.44
▸ LCK P06239 2/20 0.44
▸ KMT2A Q03164 3/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ RXFP1 Q9HBX9 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ ALOX12 P18054 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ ABL1 P00519 1/20 0.42
▸ FYN P06241 1/20 0.42
▸ CSF1R P07333 1/20 0.42
▸ LYN P07948 1/20 0.42
▸ KIT P10721 1/20 0.42
▸ SRC P12931 1/20 0.42
▸ FLT1 P17948 1/20 0.42
▸ FLT4 P35916 1/20 0.42
▸ FLT3 P36888 1/20 0.42
▸ BLK P51451 1/20 0.42

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
SCHEMBL967392 0.90 LMNA (0.53) ALDH1A1LMNAKDRLCKKMT2A
SCHEMBL10327539 0.87 MAPK8 (0.51) KMT2AMEN1POLBNPSR1PRKD3
SCHEMBL3461151 0.84 MAPK8 (0.44) ALDH1A1KDRKMT2AMEN1RXFP1
SCHEMBL10180413 0.84 MAPK8 (0.42) ALDH1A1LMNAKDRKMT2AMEN1
SCHEMBL965753 0.83 MAPK8 (0.41) ALDH1A1LCKKMT2AMEN1RXFP1
SCHEMBL964493 0.83 ALDH1A1 (0.51) ALDH1A1LMNAKDRLCKKMT2A
SCHEMBL3461155 0.83 MAPK8 (0.44) ALDH1A1KMT2AMEN1RXFP1POLB
SCHEMBL12947088 0.82 SMN1; SMN2 (0.41) ALDH1A1LCKKMT2AMEN1RXFP1
SCHEMBL965756 0.81 MAPK8 (0.41) ALDH1A1KMT2AMEN1RXFP1POLB
SCHEMBL12946999 0.81 MAPK8 (0.40) ALDH1A1LCKKMT2AMEN1RXFP1

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 14 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
US-20110021525-A1 P70S6 Kinase Modulators and Method of Use EXELIXIS, INC. (US) 2011-01-27 — — US claimed
US-7816353-B2 P70S6 kinase modulators and method of use EXELIXIS, INC. (US) 2010-10-19 — — US claimed
US-20070208020-A1 P70S6 Kinase Modulators And Method Of Use EXELIXIS, INC. 2007-09-06 — — US 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-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-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
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 ALDH1A1 4491/4885LMNA 3817/4885KDR 335/4885
US-20070208020-A1 P70S6 Kinase Modulators And Method Of Use EEF2K, RPS6KA3, MTOR ALDH1A1 4491/4885LMNA 3817/4885KDR 335/4885

“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.

Send feedback