SCHEMBL3459370

SCHEMBL3459370

CCCOc1nc(N)nc(N[C@@H](C)C(=O)Nc2cccc(C(F)(F)F)c2)c1C#N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.43
▸ MAPT P10636 3/20 0.43
▸ LMNA P02545 1/20 0.43
▸ ALOX12 P18054 1/20 0.43
▸ CCR6 P51684 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ MAPK8 P45983 3/20 0.42
▸ PRKD3 O94806 2/20 0.42
▸ MAP4K4 O95819 1/20 0.42
▸ MAP4K2 Q12851 1/20 0.42
▸ PKN2 Q16513 1/20 0.42
▸ MAP4K5 Q9Y4K4 1/20 0.42
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ MEN1 O00255 1/20 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
▸ LCK P06239 1/20 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
SCHEMBL3459373 0.93 MAPK8 (0.42) ALDH1A1MAPTLMNAALOX12CCR6
SCHEMBL3461151 0.93 MAPK8 (0.44) ALDH1A1MAPTALOX12NPSR1MAPK8
SCHEMBL10180400 0.91 RXFP1 (0.46) ALDH1A1MAPTSMN1; SMN2KMT2AMEN1
SCHEMBL3460054 0.89 SMN1; SMN2 (0.44) ALDH1A1MAPTLMNASMN1; SMN2KMT2A
SCHEMBL3459315 0.88 MAPT (0.43) ALDH1A1MAPTLMNAALOX12CCR6
SCHEMBL964696 0.88 SMN1; SMN2 (0.47) ALDH1A1MAPTLMNASMN1; SMN2KMT2A
SCHEMBL3461155 0.87 MAPK8 (0.44) ALDH1A1ALOX12NPSR1MAPK8PRKD3
SCHEMBL3459089 0.85 PIK3CD (0.50) ALDH1A1MAPTSMN1; SMN2KMT2AMEN1
SCHEMBL13110111 0.85 MAPT (0.47) ALDH1A1MAPTLMNASMN1; SMN2KMT2A
SCHEMBL10180401 0.85 RXFP1 (0.44) ALDH1A1MAPTSMN1; SMN2KMT2ALCK

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 10 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-7816353-B2 P70S6 kinase modulators and method of use EXELIXIS, INC. (US) 2010-10-19 — — 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-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 ALDH1A1 4491/4885MAPT 3812/4885LMNA 3817/4885
US-20070208020-A1 P70S6 Kinase Modulators And Method Of Use EEF2K, RPS6KA3, MTOR ALDH1A1 4491/4885MAPT 3812/4885LMNA 3817/4885

“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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