SCHEMBL3459306

SCHEMBL3459306

Nc1nc(Cl)cc(NCC(=O)Nc2cccc(C(F)(F)F)c2)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 1/20 0.51
▸ ALDH1A1 P00352 5/20 0.50
▸ MEN1 O00255 3/20 0.50
▸ KMT2A Q03164 3/20 0.50
▸ LMNA P02545 3/20 0.50
▸ MAPT P10636 2/20 0.50
▸ L3MBTL1 Q9Y468 2/20 0.50
▸ GAA P10253 2/20 0.50
▸ HTT P42858 1/20 0.50
▸ XBP1 P17861 1/20 0.50
▸ NPSR1 Q6W5P4 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ KDM4E B2RXH2 1/20 0.48
▸ HPGD P15428 1/20 0.48
▸ RECQL P46063 1/20 0.48
▸ HDAC3 O15379 1/20 0.46
▸ HDAC1 Q13547 1/20 0.46
▸ HDAC2 Q92769 1/20 0.46
▸ HDAC10 Q969S8 1/20 0.46
▸ HDAC11 Q96DB2 1/20 0.46

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
SCHEMBL3459310 0.91 GRK2 (0.49) KDRALDH1A1MEN1KMT2ALMNA
SCHEMBL967953 0.84 SMN1; SMN2 (0.48) ALDH1A1MEN1KMT2ALMNAMAPT
SCHEMBL963619 0.80 LMNA (0.53) KDRALDH1A1MEN1KMT2ALMNA
SCHEMBL3459645 0.80 AKT1 (0.60) ALDH1A1MEN1KMT2ALMNAMAPT
SCHEMBL966045 0.79 L3MBTL1 (0.47) KDRALDH1A1MEN1KMT2ALMNA
SCHEMBL967955 0.76 GRK2 (0.45) ALDH1A1MEN1KMT2ALMNAMAPT
SCHEMBL3460785 0.76 GRK2 (0.47) ALDH1A1MEN1KMT2ALMNAMAPT
SCHEMBL12947018 0.76 SMN1; SMN2 (0.48) ALDH1A1MEN1KMT2ALMNAMAPT
SCHEMBL10327506 0.75 SMN1; SMN2 (0.47) ALDH1A1MEN1KMT2ALMNAMAPT
SCHEMBL966239 0.74 GAA (0.52) KDRALDH1A1MEN1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 KDR 335/4885ALDH1A1 4491/4885MEN1 4049/4885
US-20070208020-A1 P70S6 Kinase Modulators And Method Of Use EEF2K, RPS6KA3, MTOR KDR 335/4885ALDH1A1 4491/4885MEN1 4049/4885

“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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