SCHEMBL16747952

SCHEMBL16747952

O=C(Nc1ccccc1Nc1cccc(Cl)n1)C(F)(F)F

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.49
CYP1A2 P05177 2/20 0.48
CYP3A4 P08684 2/20 0.48
CYP2C19 P33261 2/20 0.48
ALDH1A1 P00352 7/20 0.46
TAS2R14 Q9NYV8 1/20 0.45
GAA P10253 6/20 0.44
HTT P42858 2/20 0.44
MAPT P10636 2/20 0.44
JAK2 O60674 1/20 0.44
TP53 P04637 1/20 0.44
KLK7 P49862 1/20 0.44
GRM5 P41594 1/20 0.42
SLC40A1 Q9NP59 1/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
ALOX12 P18054 1/20 0.41
HPGD P15428 1/20 0.40
AGTR1 P30556 1/20 0.40
PARP14 Q460N5 1/20 0.40

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
SCHEMBL16739682 0.81 ALDH1A1 (0.56) LMNACYP1A2CYP3A4CYP2C19ALDH1A1
SCHEMBL11397564 0.75 ALDH1A1 (0.64) LMNACYP1A2CYP3A4CYP2C19ALDH1A1
SCHEMBL5551534 0.72 PDK1 (0.68) CYP1A2CYP2C19ALDH1A1HTTMAPT
SCHEMBL11712458 0.69 PDK1 (0.46) ALDH1A1GAAHTTMAPTJAK2
SCHEMBL16739536 0.69 KCNH2 (0.46) LMNATAS2R14HTTMAPTTP53
SCHEMBL5551553 0.69 HDAC1 (0.70) CYP1A2CYP3A4CYP2C19ALDH1A1GAA
SCHEMBL16747866 0.69 KMT2A (0.54) LMNACYP1A2CYP3A4CYP2C19ALDH1A1
SCHEMBL31263190 0.69 SMN1; SMN2 (0.37) LMNAALDH1A1GAAHTTMAPT
SCHEMBL25403220 0.69 ALDH1A1 (0.69) LMNACYP1A2CYP3A4CYP2C19ALDH1A1
SCHEMBL3600530 0.69 L3MBTL1 (0.59) CYP2C19ALDH1A1HTTMAPTJAK2

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-20160280685-A1 SUBSTITUTED PYRIDINE AND PYRAZINE BMI-1 INHIBITORS PTC THERAPEUTICS, INC. 2016-09-29 US disclosed
US-20160280685-A1 SUBSTITUTED PYRIDINE AND PYRAZINE BMI-1 INHIBITORS PTC THERAPEUTICS, INC. 2016-09-29 US disclosed
WO-2015076800-A1 SUBSTITUTED PYRIDINE AND PYRAZINE BMI-1 INHIBITORS PTC THERAPEUTICS, INC. (US) 2015-05-28 WO 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-20160280685-A1 SUBSTITUTED PYRIDINE AND PYRAZINE BMI-1 INHIBITORS BMI1, BAZ2A, BAZ2B LMNA 3602/4885CYP1A2 3989/4885CYP3A4 3791/4885

“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.