SCHEMBL14992199

SCHEMBL14992199

C[C@@H](C(=O)Nc1cccc(Cl)c1C(=O)Nc1ccccc1)N(C(=O)O)C(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
LMNA P02545 1/20 0.42
GAA P10253 2/20 0.42
RAB9A P51151 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
PTGS2 P35354 1/20 0.41
TYK2 P29597 4/20 0.40
CYP3A4 P08684 3/20 0.40
JAK2 O60674 2/20 0.40
JAK1 P23458 1/20 0.40
ITGB1 P05556 4/20 0.40
ITGA4 P13612 4/20 0.40
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
EGFR P00533 1/20 0.39
HTT P42858 1/20 0.39
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 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
SCHEMBL18188918 1.00 MAPT (0.42) MAPTMEN1KMT2ALMNAGAA
SCHEMBL18188572 0.87 GAA (0.42) MAPTMEN1KMT2ALMNAGAA
SCHEMBL18188570 0.87 GAA (0.42) MAPTMEN1KMT2ALMNAGAA
SCHEMBL16583297 0.86 KCNQ2 (0.42) MAPTMEN1KMT2ALMNAGAA
SCHEMBL16583296 0.86 KCNQ2 (0.42) MAPTMEN1KMT2ALMNAGAA
SCHEMBL16584814 0.84 ITGB1 (0.41) MAPTMEN1KMT2ALMNAGAA
SCHEMBL28503296 0.80 TAAR1 (0.50) MAPTMEN1KMT2ALMNAGAA
SCHEMBL16584812 0.79 ITGB1 (0.38) MAPTMEN1KMT2ALMNAGAA
SCHEMBL18188669 0.79 GAA (0.44) MAPTGAARAB9ANPSR1TYK2
SCHEMBL18188672 0.79 GAA (0.44) MAPTGAARAB9ANPSR1TYK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9518046-B2 Substituted aminopyrimidine compounds and methods of use CALITOR SCIENCES, LLC (US) 2016-12-13 US disclosed
US-20160318913-A1 SUBSTITUTED AMINOPYRIMIDINE COMPOUNDS AND METHODS OF USE SUNSHINE LAKE PHARMA CO., LTD. (CN) 2016-11-03 US disclosed
US-20130143902-A1 COMPOSITIONS AND METHODS OF TREATING A PROLIFERATIVE DISEASE WITH A QUINAZOLINONE DERIVATIVE GILEAD CALISTOGA LLC (US) 2013-06-06 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-20130143902-A1 COMPOSITIONS AND METHODS OF TREATING A PROLIFERATIVE DISEASE WITH A QUINAZOLINONE DERIVATIVE TP53, KRAS, MKI67 MAPT 1588/4885MEN1 329/4885KMT2A 1928/4885
US-20160318913-A1 SUBSTITUTED AMINOPYRIMIDINE COMPOUNDS AND METHODS OF USE PIK3CA, PIK3CD, MYD88 MAPT 4477/4885MEN1 4666/4885KMT2A 960/4885

“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.