SCHEMBL5214892

SCHEMBL5214892

OC(c1ccc(F)nc1)c1cccnc1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.35
NAPRT Q6XQN6 1/20 0.35
CYP17A1 P05093 1/20 0.33
KCNA5 P22460 4/20 0.32
KCND3 Q9UK17 1/20 0.32
MAPT P10636 2/20 0.32
ALDH1A1 P00352 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
EPHX2 P34913 1/20 0.31
TSHR P16473 1/20 0.30
CDC7 O00311 1/20 0.30
CCNT1 O60563 1/20 0.30
CCNE1 P24864 1/20 0.30
CDK2 P24941 1/20 0.30
CDK9 P50750 1/20 0.30
DBF4 Q9UBU7 1/20 0.30
CYP11B1 P15538 1/20 0.30
CYP11B2 P19099 1/20 0.30
HDAC4 P56524 1/20 0.30

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
SCHEMBL5218484 0.81 CYP11B1 (0.40) GAASMN1; SMN2NAPRTCYP11B1CYP11B2
SCHEMBL3887083 0.80 SMN1; SMN2 (0.47) GAASMN1; SMN2NAPRTKCNA5MAPT
SCHEMBL5215520 0.77 KCNA5 (0.36) GAANAPRTKCNA5KCND3MAPT
SCHEMBL19544649 0.70 CYP2A6 (0.36) EPHX2CYP11B2
SCHEMBL2901635 0.70 CYP2C19 (0.45) SMN1; SMN2NAPRTKCNA5MAPTALDH1A1
SCHEMBL23490092 0.70 NAPRT (0.42) GAANAPRTL3MBTL1TSHR
SCHEMBL3647568 0.70 NAPRT (0.42) GAANAPRTL3MBTL1TSHR
SCHEMBL5214224 0.68 TSHR (0.50) NAPRTMAPTALDH1A1L3MBTL1TSHR
SCHEMBL29790356 0.67 CYP2A6 (0.38) ALDH1A1
SCHEMBL115262 0.67 CYP2A6 (0.38) ALDH1A1

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-20070275954-A1 Novel Fused Heterocycles and Uses Thereof ASTRAZENECA AB (SE) 2007-11-29 US disclosed
EP-1751119-A1 NOVEL FUSED HETEROCYCLES AND USES THEREOF AstraZeneca AB (SE) 2007-02-14 EP disclosed
WO-2005111001-A1 NOVEL FUSED HETEROCYCLES AND USES THEREOF ASTRAZENECA AB (SE) 2005-11-24 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-20070275954-A1 Novel Fused Heterocycles and Uses Thereof VIP, CCKBR, HRH2 GAA 1097/4885SMN1; SMN2 4821/4885NAPRT 1023/4885

“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.