Sugi Predict

Sugi Predict / Compounds / SCHEMBL559496

SCHEMBL559496

SCHEMBL559496

O=C(NCCN1CCOCC1)c1ccc2cnc(N[C@H]3CC[C@H](O)CC3)nc2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MERTK Q12866 3/20 0.55
▸ MAPK1 P28482 2/20 0.54
▸ ALDH1A1 P00352 1/20 0.54
▸ CYP1A2 P05177 1/20 0.53
▸ CYP2D6 P10635 1/20 0.53
▸ CYP2C19 P33261 1/20 0.53
▸ CD274 Q9NZQ7 6/20 0.51
▸ LCK P06239 1/20 0.51
▸ KIT P10721 1/20 0.51
▸ KDR P35968 1/20 0.51
▸ MAPK9 P45984 1/20 0.51
▸ MAPK10 P53779 1/20 0.51
▸ MAPK14 Q16539 1/20 0.51
▸ TYRO3 Q06418 1/20 0.51
▸ GAS6 Q14393 1/20 0.51
▸ POLB P06746 1/20 0.49
▸ BTK Q06187 1/20 0.48
▸ HPGD P15428 1/20 0.48
▸ CCNE1 P24864 1/20 0.47
▸ CDK2 P24941 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
SCHEMBL2257237 1.00 MERTK (0.55) MERTKMAPK1ALDH1A1CYP1A2CYP2D6
SCHEMBL559845 0.84 CCNE1 (0.47) MERTKMAPK1MAPK9MAPK10TYRO3
SCHEMBL2258872 0.84 CCNE1 (0.47) MERTKMAPK1MAPK9MAPK10TYRO3
SCHEMBL558731 0.83 MAPK1 (0.46) MAPK1LCKKITKDRMAPK9
SCHEMBL2259198 0.83 MAPK1 (0.46) MAPK1LCKKITKDRMAPK9
SCHEMBL2258873 0.82 MAPK1 (0.49) MERTKMAPK1KDRTYRO3HPGD
SCHEMBL559338 0.82 MAPK1 (0.49) MERTKMAPK1KDRTYRO3HPGD
SCHEMBL2257559 0.82 TYRO3 (0.48) MERTKMAPK1ALDH1A1MAPK9MAPK10
SCHEMBL558342 0.82 TYRO3 (0.48) MERTKMAPK1ALDH1A1MAPK9MAPK10
SCHEMBL2256441 0.82 MAPK1 (0.47) MERTKMAPK1KDRTYRO3CCNE1

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
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
WO-2007125405-A2 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS PFIZER PRODUCTS INC. (US) 2007-11-08 — — 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-20120035194-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS MAPK1, SLC5A1, ATF1 MERTK 2882/4885MAPK1 1/4885ALDH1A1 1098/4885
US-20100056506-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS MAPK1, SLC5A1, ATF1 MERTK 2882/4885MAPK1 1/4885ALDH1A1 1098/4885

“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.