SCHEMBL17044905

SCHEMBL17044905

CC(C)(C)N(CCn1c(=O)[nH]c2ccccc21)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.52
MEN1 O00255 1/20 0.51
CYP1A2 P05177 1/20 0.51
KMT2A Q03164 1/20 0.51
POLB P06746 1/20 0.49
LMNA P02545 3/20 0.49
HPGD P15428 2/20 0.49
HTT P42858 2/20 0.49
ALDH1A1 P00352 1/20 0.49
MAPT P10636 1/20 0.49
TSHR P16473 1/20 0.49
MAPK1 P28482 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
HTR7 P34969 5/20 0.46
P2RX7 Q99572 4/20 0.44

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
SCHEMBL21070790 0.87 POLB (0.48) RAB9AMEN1CYP1A2KMT2APOLB
SCHEMBL738179 0.81 MEN1 (0.50) RAB9AMEN1CYP1A2KMT2APOLB
SCHEMBL4419395 0.78 MEN1 (0.63) RAB9AMEN1CYP1A2KMT2APOLB
SCHEMBL7275635 0.77 RAB9A (0.55) RAB9AMEN1CYP1A2KMT2APOLB
SCHEMBL17044822 0.77 LMNA (0.49) RAB9AMEN1CYP1A2KMT2APOLB
SCHEMBL7258664 0.77 RAB9A (0.58) RAB9AMEN1CYP1A2KMT2APOLB
Hydrochloric Acid SCHEMBL9725349 0.76 RAB9A (0.64) RAB9AMEN1CYP1A2KMT2APOLB
Hydrochloric Acid SCHEMBL7265768 0.76 RAB9A (0.57) RAB9AMEN1CYP1A2KMT2APOLB
SCHEMBL7272271 0.76 RAB9A (0.57) RAB9AMEN1CYP1A2KMT2APOLB
SCHEMBL15255347 0.76 RAB9A (0.67) RAB9AMEN1CYP1A2KMT2APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3082819-B1 SUBSTITUTED DIAMINOPYRIMIDYL COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH SIGNAL PHARM LLC (US) 2020-06-17 EP disclosed
US-20150246890-A1 SUBSTITUTED DIAMINOPYRIMIDYL COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH SIGNAL PHARMACEUTICALS LLC 2015-09-03 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 (1 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-20150246890-A1 SUBSTITUTED DIAMINOPYRIMIDYL COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH PRKCQ, PRKCH, PRKCE RAB9A 2324/4885MEN1 3777/4885CYP1A2 3737/4885

“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.