SCHEMBL17820892

SCHEMBL17820892

O=Cc1cc(-c2cccnc2)ccn1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ERN1 O75460 3/20 0.54
▸ CYP2A6 P11509 6/20 0.52
▸ CYP3A4 P08684 3/20 0.52
▸ ALDH1A1 P00352 1/20 0.52
▸ CYP1A2 P05177 1/20 0.52
▸ LOXL2 Q9Y4K0 1/20 0.47
▸ MKNK1 Q9BUB5 2/20 0.47
▸ MKNK2 Q9HBH9 2/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ PSIP1 O75475 1/20 0.47
▸ AXL P30530 1/20 0.47
▸ PIK3CA P42336 1/20 0.47
▸ CYP2E1 P05181 2/20 0.46
▸ CYP2C9 P11712 2/20 0.46
▸ CYP2B6 P20813 2/20 0.46
▸ CYP2C19 P33261 2/20 0.46
▸ KMO O15229 1/20 0.46
▸ DYRK1A Q13627 1/20 0.46
▸ DYRK1B Q9Y463 1/20 0.46
▸ CYP17A1 P05093 1/20 0.46

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
SCHEMBL7609085 0.83 ERN1 (0.38) ERN1CYP3A4ALDH1A1MKNK1MKNK2
SCHEMBL2084619 0.82 EGFR (0.45) ERN1ALDH1A1MEN1PIK3CACOMT
SCHEMBL29935212 0.82 EGFR (0.45) ERN1ALDH1A1MEN1PIK3CACOMT
SCHEMBL7609087 0.80 ERN1 (0.50) ERN1PIK3CADYRK1ADYRK1BCYP19A1
SCHEMBL12532909 0.79 ERN1 (0.54) ERN1CYP2A6CYP3A4ALDH1A1CYP1A2
SCHEMBL16761875 0.79 CYP2A6 (0.56) ERN1CYP2A6CYP3A4ALDH1A1CYP1A2
SCHEMBL1760672 0.78 CYP2A6 (0.68) CYP2A6CYP3A4ALDH1A1CYP1A2LOXL2
SCHEMBL6783268 0.76 ALDH1A1 (0.44) ALDH1A1CYP1A2MEN1
SCHEMBL28778071 0.76 MAP4K4 (0.49) KMOCYP19A1
SCHEMBL29569162 0.75 ERN1 (0.57) ERN1CYP2A6CYP3A4ALDH1A1CYP1A2

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 1203/4885CYP2A6 2190/4885CYP3A4 3441/4885

“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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