SCHEMBL559814

SCHEMBL559814

O=C(Nc1ccc(N2CCOCC2)nc1)c1cccc2cnc(N[C@H]3CC[C@H](O)CC3)nc12

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 3/20 0.55
▸ CYP1A2 P05177 2/20 0.55
▸ MERTK Q12866 13/20 0.53
▸ AXL P30530 8/20 0.53
▸ TYRO3 Q06418 6/20 0.53
▸ NPC1 O15118 2/20 0.51
▸ FLT3 P36888 1/20 0.49
▸ GAS6 Q14393 1/20 0.49
▸ LMNA P02545 2/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ MAPT P10636 2/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ HTT P42858 1/20 0.47

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
SCHEMBL2256583 1.00 RAB9A (0.55) RAB9ACYP1A2MERTKAXLTYRO3
SCHEMBL558768 0.82 MAPK1 (0.48) MERTKAXLTYRO3FLT3GAS6
SCHEMBL2259324 0.82 MAPK1 (0.48) MERTKAXLTYRO3FLT3GAS6
SCHEMBL2258647 0.80 MAPK10 (0.50) MERTKAXLTYRO3SMN1; SMN2HTT
SCHEMBL559027 0.80 MAPK10 (0.50) MERTKAXLTYRO3SMN1; SMN2HTT
SCHEMBL2261729 0.79 MAPK10 (0.52) RAB9AMERTKAXLTYRO3NPC1
SCHEMBL559698 0.79 MAPK10 (0.52) RAB9AMERTKAXLTYRO3NPC1
SCHEMBL558493 0.79 MAPK10 (0.51) RAB9AMERTKAXLTYRO3NPC1
SCHEMBL560142 0.79 TYRO3 (0.54) MERTKAXLTYRO3FLT3GAS6
SCHEMBL2256985 0.79 TYRO3 (0.54) MERTKAXLTYRO3FLT3GAS6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120035194-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS PFIZER INC. (US) 2012-02-09 — — US disclosed
US-20120035194-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS PFIZER INC. (US) 2012-02-09 — — US disclosed
US-20120035194-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS PFIZER INC. (US) 2012-02-09 — — US disclosed
US-7998978-B2 Substituted 2-amino-fused heterocyclic compounds PFIZER INC. (US) 2011-08-16 — — US disclosed
US-7998978-B2 Substituted 2-amino-fused heterocyclic compounds PFIZER INC. (US) 2011-08-16 — — US disclosed
US-7998978-B2 Substituted 2-amino-fused heterocyclic compounds PFIZER INC. (US) 2011-08-16 — — US disclosed
US-20100056506-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS PFIZER PRODUCTS INC. (US) 2010-03-04 — — US disclosed
US-20100056506-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS PFIZER PRODUCTS INC. (US) 2010-03-04 — — US disclosed
US-20100056506-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS PFIZER PRODUCTS INC. (US) 2010-03-04 — — 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-20120035194-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS MAPK1, SLC5A1, ATF1 RAB9A 1586/4885CYP1A2 467/4885MERTK 2882/4885
US-20100056506-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS MAPK1, SLC5A1, ATF1 RAB9A 1586/4885CYP1A2 467/4885MERTK 2882/4885

“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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