SCHEMBL17353647

SCHEMBL17353647

CC(O)CNc1cnccn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 1.00
▸ KDM4E B2RXH2 5/20 1.00
▸ SMN1; SMN2 Q16637 1/20 1.00
▸ PCSK9 Q8NBP7 1/20 0.54
▸ HPGD P15428 5/20 0.47
▸ KMT2A Q03164 3/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ RAB9A P51151 4/20 0.41
▸ NPC1 O15118 3/20 0.41
▸ CYP2D6 P10635 2/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ GAA P10253 1/20 0.39
▸ THRB P10828 1/20 0.39
▸ FFAR2 O15552 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ MKNK1 Q9BUB5 1/20 0.38
▸ MKNK2 Q9HBH9 1/20 0.38

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
SCHEMBL3956912 0.85 ALDH1A1 (0.73) ALDH1A1KDM4ESMN1; SMN2PCSK9HPGD
SCHEMBL8187571 0.76 KDM4E (0.62) ALDH1A1KDM4ESMN1; SMN2PCSK9HPGD
SCHEMBL19002867 0.74 ALDH1A1 (0.59) ALDH1A1KDM4ESMN1; SMN2PCSK9HPGD
SCHEMBL5845328 0.74 CYP2D6 (0.65) ALDH1A1KDM4ESMN1; SMN2PCSK9HPGD
SCHEMBL6800071 0.74 CYP2D6 (0.65) ALDH1A1KDM4ESMN1; SMN2PCSK9HPGD
SCHEMBL15382054 0.74 SMN1; SMN2 (0.59) ALDH1A1KDM4ESMN1; SMN2PCSK9RAB9A
SCHEMBL15382066 0.74 SMN1; SMN2 (0.59) ALDH1A1KDM4ESMN1; SMN2PCSK9RAB9A
SCHEMBL2343301 0.74 — —
SCHEMBL14067217 0.74 — —
SCHEMBL12690881 0.74 ALDH1A1 (0.58) ALDH1A1KDM4ESMN1; SMN2PCSK9MKNK1

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-20170327514-A1 FLAP MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2017-11-16 — — US disclosed
US-9732093-B2 FLAP modulators JANSSEN PHARMACEUTICA NV (BE) 2017-08-15 — — US disclosed
US-20150368270-A1 FLAP MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2015-12-24 — — US 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-20170327514-A1 FLAP MODULATORS FEN1, PGF, TBXA2R ALDH1A1 146/4885KDM4E 1986/4885SMN1; SMN2 3013/4885
US-20150368270-A1 FLAP MODULATORS FEN1, PGF, TBXA2R ALDH1A1 146/4885KDM4E 1986/4885SMN1; SMN2 3013/4885

“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.

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