SCHEMBL12123781

SCHEMBL12123781

O=C(CCN1CCOCC1)c1ccc(F)cc1F

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BCL3 P20749 1/20 0.55
ATM Q13315 1/20 0.54
ACKR3 P25106 3/20 0.54
KMT2A Q03164 5/20 0.54
ALDH1A1 P00352 5/20 0.54
MAPT P10636 5/20 0.54
DRD2 P14416 1/20 0.51
LMNA P02545 1/20 0.50
MPI P34949 1/20 0.50
TP53 P04637 1/20 0.50
ALDH3A1 P30838 1/20 0.50
HTT P42858 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
THRB P10828 1/20 0.47

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
SCHEMBL12123825 0.89 ALDH1A1 (0.55) BCL3ATMKMT2AALDH1A1MAPT
SCHEMBL17177675 0.85 ATM (0.51) BCL3ATMKMT2AALDH1A1MAPT
SCHEMBL12123817 0.84 ATM (0.50) BCL3ATMKMT2AALDH1A1MAPT
SCHEMBL12123824 0.84 ALDH1A1 (0.56) ATMKMT2AALDH1A1MAPTLMNA
Hydrochloric Acid SCHEMBL7930415 0.82 ALDH1A1 (0.65) BCL3KMT2AALDH1A1MAPTLMNA
SCHEMBL11471643 0.80 NPC1 (0.51) BCL3ATMKMT2AALDH1A1DRD2
SCHEMBL12123771 0.80 ALDH1A1 (0.73) ATMKMT2AALDH1A1MAPTLMNA
SCHEMBL11378107 0.79 NPC1 (0.53) ATMKMT2AALDH1A1DRD2TP53
Hydrochloric Acid SCHEMBL7929073 0.78 ALDH1A1 (0.74) ATMKMT2AALDH1A1MAPTLMNA
SCHEMBL12123811 0.78 ALDH1A1 (0.69) KMT2AALDH1A1MAPTLMNAMPI

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 9 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
US-20150290200-A1 INTRACELLULAR KINASE INHIBITORS PHARMACYCLICS INC (US) 2015-10-15 US disclosed
US-20140080833-A1 INTRACELLULAR KINASE INHIBITORS MANNKIND CORPORATION (US) 2014-03-20 US disclosed
US-20140080833-A1 INTRACELLULAR KINASE INHIBITORS MANNKIND CORPORATION (US) 2014-03-20 US disclosed
US-20110281850-A1 INTRACELLULAR KINASE INHIBITORS MANNKIND CORPORATION (US) 2011-11-17 US disclosed
US-20110281850-A1 INTRACELLULAR KINASE INHIBITORS MANNKIND CORPORATION (US) 2011-11-17 US disclosed
US-20070293499-A1 Intracellular Kinase Inhibitors MANNKIND CORPORATION (US) 2007-12-20 US disclosed
US-20070293499-A1 Intracellular Kinase Inhibitors MANNKIND CORPORATION (US) 2007-12-20 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 (4 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-20070293499-A1 Intracellular Kinase Inhibitors PI4KB, BTK, LTK BCL3 221/4885ATM 572/4885ACKR3 1182/4885
US-20150290200-A1 INTRACELLULAR KINASE INHIBITORS PI4KB, BTK, LTK BCL3 221/4885ATM 572/4885ACKR3 1182/4885
US-20110281850-A1 INTRACELLULAR KINASE INHIBITORS PI4KB, BTK, LTK BCL3 221/4885ATM 572/4885ACKR3 1182/4885
US-20140080833-A1 INTRACELLULAR KINASE INHIBITORS PI4KB, BTK, LTK BCL3 221/4885ATM 572/4885ACKR3 1182/4885

“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.