SCHEMBL4254154

SCHEMBL4254154

COc1ccc(-c2n[nH]cc2CN2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.51
MAPT P10636 4/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
ALDH1A1 P00352 6/20 0.51
LMNA P02545 3/20 0.51
TSHR P16473 1/20 0.51
HTT P42858 1/20 0.51
GRM2 Q14416 2/20 0.49
DRD2 P14416 1/20 0.49
DRD4 P21917 1/20 0.49
DRD3 P35462 1/20 0.49
KMT2A Q03164 9/20 0.47
PHGDH O43175 1/20 0.47
MEN1 O00255 7/20 0.47
NPSR1 Q6W5P4 2/20 0.47
CYP3A4 P08684 1/20 0.46
POLB P06746 2/20 0.45

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
SCHEMBL4251327 0.90 SMN1; SMN2 (0.62) SMN1; SMN2MAPTALDH1A1LMNATSHR
SCHEMBL4244132 0.89 MEN1 (0.56) SMN1; SMN2MAPTCYP2C9CYP2C19ALDH1A1
SCHEMBL4245119 0.83 SMN1; SMN2 (0.50) SMN1; SMN2MAPTLMNAHTTGRM2
SCHEMBL4244480 0.75 LMNA (0.55) MAPTALDH1A1LMNATSHRHTT
SCHEMBL4245787 0.74 MAPT (0.67) SMN1; SMN2MAPTALDH1A1LMNAHTT
SCHEMBL4395226 0.74 MAPT (0.67) SMN1; SMN2MAPTALDH1A1LMNAHTT
SCHEMBL12204385 0.73 MEN1 (0.60) MAPTALDH1A1LMNATSHRHTT
SCHEMBL5199448 0.72 DRD2 (0.55) SMN1; SMN2MAPTALDH1A1LMNATSHR
SCHEMBL4246303 0.72 HTR1A (0.45) SMN1; SMN2MAPTALDH1A1LMNATSHR
SCHEMBL4252387 0.72 SMN1; SMN2 (0.53) SMN1; SMN2MAPTLMNAGRM2DRD4

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 SMN1; SMN2 3497/4885MAPT 3880/4885CYP2C9 4870/4885

“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.