SCHEMBL17820257

SCHEMBL17820257

Cn1cc(-c2ccnc(C=O)c2)cn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ERN1 O75460 3/20 0.46
▸ ACVR1 Q04771 1/20 0.44
▸ DYRK1A Q13627 3/20 0.43
▸ ALK Q9UM73 1/20 0.42
▸ ACVR1B P36896 1/20 0.41
▸ TGFBR1 P36897 1/20 0.41
▸ TTK P33981 2/20 0.41
▸ CCNA2 P20248 1/20 0.41
▸ CDK2 P24941 1/20 0.41
▸ AURKA O14965 1/20 0.40
▸ AURKB Q96GD4 1/20 0.40
▸ INCENP Q9NQS7 1/20 0.40
▸ TPX2 Q9ULW0 1/20 0.40
▸ FLT3 P36888 1/20 0.40
▸ PIM1 P11309 1/20 0.40
▸ PIM2 Q9P1W9 1/20 0.40
▸ WNT1 P04628 2/20 0.40
▸ GSK3B P49841 2/20 0.40
▸ ABL1 P00519 1/20 0.40
▸ MKNK1 Q9BUB5 1/20 0.40

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
SCHEMBL28707207 0.82 PIM1 (0.44) ACVR1DYRK1AALKTTKCCNA2
SCHEMBL7609085 0.79 ERN1 (0.38) ERN1DYRK1AMKNK1MKNK2
SCHEMBL31590984 0.78 ERN1 (0.44) ERN1ACVR1DYRK1AFLT3PIM1
SCHEMBL24008092 0.77 CLK2 (0.46) ERN1DYRK1AAURKAAURKBINCENP
SCHEMBL14970159 0.77 ADORA2A (0.54) ACVR1DYRK1AALKACVR1BTGFBR1
SCHEMBL29183410 0.76 AXL (0.46) ACVR1DYRK1AALKACVR1BTGFBR1
SCHEMBL14947690 0.76 DYRK1A (0.46) ACVR1DYRK1AALKACVR1BTGFBR1
SCHEMBL25619525 0.76 DYRK1A (0.49) ACVR1DYRK1AALKTTKAURKA
SCHEMBL31107039 0.76 DYRK1A (0.46) ACVR1DYRK1AALKACVR1BTGFBR1
SCHEMBL13739462 0.75 PIK3CD (0.46) ERN1ACVR1DYRK1AALKTTK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3042900-B1 NOVEL MORPHOLINE DERIVATIVE OR SALT THEREOF FUJIFILM CORP (JP) 2020-09-23 — — EP disclosed
US-9586951-B2 Morpholine derivative or salt thereof FUJIFILM CORPORATION (JP) 2017-03-07 — — US disclosed
US-9586951-B2 Morpholine derivative or salt thereof FUJIFILM CORPORATION (JP) 2017-03-07 — — US disclosed
US-9586951-B2 Morpholine derivative or salt thereof FUJIFILM CORPORATION (JP) 2017-03-07 — — US disclosed
EP-3042900-A1 NOVEL MORPHOLINE DERIVATIVE OR SALT THEREOF Fujifilm Corporation (JP) 2016-07-13 — — EP disclosed
US-20160168139-A1 NOVEL MORPHOLINE DERIVATIVE OR SALT THEREOF FUJIFILM CORPORATION (JP) 2016-06-16 — — US disclosed
US-20160168139-A1 NOVEL MORPHOLINE DERIVATIVE OR SALT THEREOF FUJIFILM CORPORATION (JP) 2016-06-16 — — US disclosed
US-20160168139-A1 NOVEL MORPHOLINE DERIVATIVE OR SALT THEREOF FUJIFILM CORPORATION (JP) 2016-06-16 — — 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 (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-20160168139-A1 NOVEL MORPHOLINE DERIVATIVE OR SALT THEREOF PRMT7, RBBP7, RER1 ERN1 1203/4885ACVR1 548/4885DYRK1A 3347/4885

“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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