Sugi Predict

Sugi Predict / Compounds / SCHEMBL559999

SCHEMBL559999

SCHEMBL559999

O=C(NCC1CCOC1)c1cccc2cnc(N[C@H]3CC[C@H](O)CC3)nc12

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MERTK Q12866 8/20 0.51
▸ TYRO3 Q06418 7/20 0.51
▸ FLT3 P36888 6/20 0.51
▸ GAS6 Q14393 6/20 0.51
▸ JUN P05412 1/20 0.46
▸ MAPK10 P53779 1/20 0.46
▸ CNR2 P34972 6/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ AXL P30530 1/20 0.41
▸ CYP2C9 P11712 2/20 0.41
▸ CNR1 P21554 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ MAPK8 P45983 1/20 0.40
▸ MAPK9 P45984 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CCNT1 O60563 1/20 0.40
▸ NAMPT P43490 2/20 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
SCHEMBL2257629 1.00 MERTK (0.51) MERTKTYRO3FLT3GAS6JUN
SCHEMBL2259853 0.85 MAPK10 (0.49) MERTKTYRO3FLT3GAS6JUN
SCHEMBL558250 0.85 MAPK10 (0.49) MERTKTYRO3FLT3GAS6JUN
SCHEMBL10166031 0.85 MAPK10 (0.49) MERTKTYRO3FLT3GAS6JUN
SCHEMBL10207389 0.83 ALDH1A1 (0.47) JUNMAPK10MAPK1
SCHEMBL2256985 0.82 TYRO3 (0.54) MERTKTYRO3FLT3GAS6JUN
SCHEMBL560142 0.82 TYRO3 (0.54) MERTKTYRO3FLT3GAS6JUN
SCHEMBL558604 0.82 MAPK10 (0.55) MERTKTYRO3FLT3GAS6JUN
SCHEMBL2257508 0.82 MAPK10 (0.55) MERTKTYRO3FLT3GAS6JUN
SCHEMBL2255229 0.82 FLT3 (0.60) MERTKTYRO3FLT3GAS6JUN

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 MERTK 2882/4885TYRO3 691/4885FLT3 1589/4885
US-20100056506-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS MAPK1, SLC5A1, ATF1 MERTK 2882/4885TYRO3 691/4885FLT3 1589/4885

“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.