SCHEMBL4245787

SCHEMBL4245787

COc1ccc(-c2n[nH]cc2CN2CCN(c3ccc(F)cc3)CC2)cc1

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.67
LMNA P02545 3/20 0.67
L3MBTL1 Q9Y468 3/20 0.67
SMO Q99835 3/20 0.53
KDM4E B2RXH2 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.51
DRD4 P21917 1/20 0.50
DRD3 P35462 1/20 0.50
ALDH1A1 P00352 2/20 0.49
MAPK1 P28482 1/20 0.49
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
HTT P42858 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
TP53 P04637 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
SCHEMBL4395226 1.00 MAPT (0.67) MAPTLMNAL3MBTL1SMOKDM4E
SCHEMBL4253037 0.92 MAPT (0.60) MAPTLMNAL3MBTL1KDM4ESMN1; SMN2
SCHEMBL12204385 0.90 MEN1 (0.60) MAPTLMNAL3MBTL1SMOKDM4E
SCHEMBL4391668 0.89 MAPT (0.54) MAPTLMNAL3MBTL1KDM4ESMN1; SMN2
SCHEMBL27768787 0.88 SMO (0.60) MAPTLMNAL3MBTL1SMOKDM4E
SCHEMBL4396325 0.86 MAPT (0.54) MAPTLMNAL3MBTL1KDM4ESMN1; SMN2
SCHEMBL4240900 0.86 MAPT (0.54) MAPTLMNAL3MBTL1KDM4ESMN1; SMN2
SCHEMBL4394614 0.86 MAPT (0.59) MAPTLMNAL3MBTL1KDM4EDRD4
SCHEMBL4240754 0.85 MAPT (0.53) MAPTLMNAL3MBTL1KDM4ESMN1; SMN2
SCHEMBL4243305 0.83 MAPT (0.48) MAPTLMNAL3MBTL1SMOKDM4E

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-20090306039-A1 COMPOUNDS AND COMPOSITIONS AS ITPKB INHIBITORS IRM LLC (BM) 2009-12-10 US disclosed
EP-2057124-A2 COMPOUNDS AND COMPOSITIONS AS ITPKB INHIBITORS IRM, LLC (BM) 2009-05-13 EP disclosed
WO-2008011611-A2 COMPOUNDS AND COMPOSITIONS AS ITPKB INHIBITORS IRM LLC (BM) 2008-01-24 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-20090306039-A1 COMPOUNDS AND COMPOSITIONS AS ITPKB INHIBITORS IP6K1, IP6K2, IP6K3 MAPT 3880/4885LMNA 2895/4885L3MBTL1 1924/4885

“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.