SCHEMBL14385121

SCHEMBL14385121

O=C1c2cc3ccccc3cc2SC1CN1CCOCC1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
ALDH1A1 P00352 5/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
LMNA P02545 3/20 0.36
TP53 P04637 1/20 0.36
TSHR P16473 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
KDM1A O60341 3/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
ALDH3A1 P30838 1/20 0.36
POLB P06746 1/20 0.36
KMT2A Q03164 1/20 0.35

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
SCHEMBL12123719 0.87 METAP1 (0.44) ALDH1A1HPGDHSD17B10LMNAKMT2A
SCHEMBL14384890 0.81 METAP1 (0.39) GAACYP1A2CYP2D6CYP2C19ALDH1A1
SCHEMBL14385098 0.74 GAA (0.39) GAACYP1A2CYP2D6CYP2C19ALDH1A1
SCHEMBL14385108 0.72 GAA (0.42) GAACYP1A2CYP2D6CYP2C19ALDH1A1
SCHEMBL14384893 0.72 SIGMAR1 (0.53) GAAALDH1A1KMT2A
SCHEMBL15601791 0.70 ALDH1A1 (0.39) GAACYP1A2CYP2D6CYP2C19ALDH1A1
SCHEMBL12123712 0.68 METAP1 (0.52)
SCHEMBL9617722 0.67 METAP1 (0.45) ALDH1A1L3MBTL1LMNAKDM1ACA1
SCHEMBL14567095 0.65 TDP2 (0.56) GAAALDH1A1L3MBTL1HPGDHSD17B10
SCHEMBL14384499 0.62 GAA (0.38) GAACYP1A2CYP2D6CYP2C19ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150290200-A1 INTRACELLULAR KINASE INHIBITORS PHARMACYCLICS INC (US) 2015-10-15 US disclosed
EP-2865381-A1 ITK inhibitors for treating blood cell malignancies Pharmacyclics, Inc. (US) 2015-04-29 EP disclosed
US-20140080833-A1 INTRACELLULAR KINASE INHIBITORS MANNKIND CORPORATION (US) 2014-03-20 US disclosed
WO-2007136790-A2 INTRACELLULAR KINASE INHIBITORS MANNKIND CORPORATION (US) 2007-11-29 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 (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-20150290200-A1 INTRACELLULAR KINASE INHIBITORS PI4KB, BTK, LTK GAA 3614/4885CYP1A2 4877/4885CYP2D6 4867/4885
US-20140080833-A1 INTRACELLULAR KINASE INHIBITORS PI4KB, BTK, LTK GAA 3614/4885CYP1A2 4877/4885CYP2D6 4867/4885

“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.