SCHEMBL3947752

SCHEMBL3947752

CCOC(=O)c1ccc(Nc2nccc(-n3ccnc3)n2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.54
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
THRB P10828 1/20 0.54
JAK3 P52333 2/20 0.50
PDPK1 O15530 1/20 0.50
JAK2 O60674 1/20 0.50
JAK1 P23458 1/20 0.50
TYK2 P29597 1/20 0.50
SLC2A1 P11166 1/20 0.48
TBXAS1 P24557 1/20 0.47
ALK Q9UM73 1/20 0.47
NPC1 O15118 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
ALDH1A1 P00352 3/20 0.46
CYP1A2 P05177 2/20 0.46
CYP2C19 P33261 2/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
ALOX15 P16050 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
SCHEMBL3951087 0.87 LMNA (0.51) RAB9AMEN1KMT2ATHRBSLC2A1
SCHEMBL2866252 0.84 IKBKB (0.53) RAB9AMEN1KMT2ATHRBJAK3
SCHEMBL3944330 0.83 AURKA (0.59) ALDH1A1CYP1A2CYP2C19CYP3A4CYP2D6
SCHEMBL25136315 0.79 CD38 (0.55) MEN1KMT2ATBXAS1SMN1; SMN2ALDH1A1
SCHEMBL30182710 0.79 CD38 (0.55) MEN1KMT2ATBXAS1SMN1; SMN2ALDH1A1
SCHEMBL5800533 0.76 HTT (0.71) MEN1KMT2ATBXAS1SMN1; SMN2ALDH1A1
SCHEMBL27654819 0.76 MAPT (0.56) RAB9APDPK1NPC1ALDH1A1CYP1A2
SCHEMBL3946636 0.76 RAB9A (0.57) RAB9AMEN1KMT2ATHRBJAK3
SCHEMBL12253193 0.75 MEN1 (0.83) RAB9AMEN1KMT2ATHRBPDPK1
Hydrochloric Acid SCHEMBL28276875 0.75 HTT (0.69) MEN1KMT2ATBXAS1SMN1; SMN2ALDH1A1

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
EP-1922309-B1 N-PHENYL-2-PYRIMIDINE-AMINE DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF IL YANG PHARM CO LTD (KR) 2014-05-21 EP disclosed
US-7501424-B2 N-phenyl-2-pyrimidine-amine derivatives and process for the preparation thereof IL-YANG PHARM. CO., LTD. (KR) 2009-03-10 US disclosed
US-20080096899-A1 N-Phenyl-2-Pyrimidine-Amine Derivatives and Process for the Preparation Thereof IL-YANG PHARM. CO., LTD. (KR) 2008-04-24 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-20080096899-A1 N-Phenyl-2-Pyrimidine-Amine Derivatives and Process for the Preparation Thereof ITPA, TYMP, THPO RAB9A 4028/4885MEN1 2896/4885KMT2A 105/4885

“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.