SCHEMBL20743116

SCHEMBL20743116

O=C(OCc1ccccc1)N1CC(c2cc(C(F)(F)F)ccn2)C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 1/20 0.44
▸ JAK1 P23458 1/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ GRIN2B Q13224 4/20 0.43
▸ FAAH O00519 2/20 0.43
▸ MGLL Q99685 1/20 0.43
▸ CYP2C19 P33261 1/20 0.42
▸ PTGER1 P34995 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ RORC P51449 2/20 0.41
▸ USP30 Q70CQ3 1/20 0.41
▸ MAP3K12 Q12852 1/20 0.41
▸ CYP2D6 P10635 2/20 0.41
▸ CYP2C9 P11712 2/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ PDK1 Q15118 1/20 0.41

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
SCHEMBL20743061 0.83 JAK2 (0.45) JAK2JAK1SMN1; SMN2NPC1RAB9A
SCHEMBL22059523 0.81 GRIN2B (0.54) JAK2JAK1SMN1; SMN2NPC1RAB9A
SCHEMBL30328633 0.74 RORC (0.38) SMN1; SMN2NPC1RAB9AGRIN2BFAAH
SCHEMBL20743055 0.74 MAP3K12 (0.44) MEN1KMT2AUSP30MAP3K12
SCHEMBL16158890 0.73 SMN1; SMN2 (0.58) JAK2JAK1SMN1; SMN2NPC1RAB9A
SCHEMBL19404912 0.73 GRIN2B (0.58) JAK2JAK1SMN1; SMN2NPC1RAB9A
SCHEMBL2621378 0.73 SMN1; SMN2 (0.61) SMN1; SMN2NPC1RAB9AGRIN2BCYP2C19
SCHEMBL70761 0.73 SMN1; SMN2 (0.61) SMN1; SMN2NPC1RAB9AGRIN2BCYP2C19
SCHEMBL2621382 0.73 SMN1; SMN2 (0.61) SMN1; SMN2NPC1RAB9AGRIN2BCYP2C19
SCHEMBL70762 0.73 SMN1; SMN2 (0.61) SMN1; SMN2NPC1RAB9AGRIN2BCYP2C19

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11253499-B2 Compounds GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2022-02-22 — — US disclosed
US-11253499-B2 Compounds GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2022-02-22 — — US disclosed
EP-3668854-B1 NOVEL COMPOUNDS GLAXOSMITHKLINE IP DEV LTD (GB) 2022-01-12 — — EP disclosed
EP-3668854-B1 NOVEL COMPOUNDS GLAXOSMITHKLINE IP DEV LTD (GB) 2022-01-12 — — EP disclosed
EP-3668854-A1 NOVEL COMPOUNDS GlaxoSmithKline Intellectual Property Development Limited (GB) 2020-06-24 — — EP disclosed
US-20200170997-A1 NOVEL COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2020-06-04 — — US disclosed
US-20200170997-A1 NOVEL COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2020-06-04 — — US disclosed
CN-111225909-A Novel compounds 葛兰素史密斯克莱知识产权发展有限公司 2020-06-02 — — CN disclosed
WO-2019034702-A1 NOVEL COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-02-21 — — WO disclosed
WO-2019034702-A1 NOVEL COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-02-21 — — 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 (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-11253499-B2 Compounds SDHA, SDHB, FDPS JAK2 1858/4885JAK1 2582/4885SMN1; SMN2 3636/4885
US-20200170997-A1 NOVEL COMPOUNDS FNTB, SDHA, FDPS JAK2 2943/4885JAK1 2904/4885SMN1; SMN2 4087/4885

“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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