Sugi Predict

Sugi Predict / Compounds / SCHEMBL41115

SCHEMBL41115

SCHEMBL41115

Nc1ncc2cc(-c3cc(O)ccc3Cl)ccc2n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LCK P06239 4/20 0.53
▸ KDR P35968 2/20 0.53
▸ JAK3 P52333 2/20 0.53
▸ MAPK14 Q16539 1/20 0.53
▸ DHFR P00374 2/20 0.48
▸ ABL1 P00519 1/20 0.47
▸ SRC P12931 3/20 0.47
▸ ADORA1 P30542 4/20 0.43
▸ ADORA2A P29274 2/20 0.43
▸ KIT P10721 2/20 0.43
▸ BACE1 P56817 1/20 0.43
▸ ESR1 P03372 1/20 0.42
▸ ESR2 Q92731 1/20 0.42
▸ JAK2 O60674 1/20 0.41
▸ JAK1 P23458 1/20 0.41
▸ TYK2 P29597 1/20 0.41
▸ AURKB Q96GD4 1/20 0.41
▸ EPHB4 P54760 1/20 0.41
▸ TEK Q02763 1/20 0.41
▸ GFER P55789 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
SCHEMBL5494572 0.86 LCK (0.56) LCKKDRJAK3MAPK14DHFR
SCHEMBL5491016 0.86 LCK (0.56) LCKKDRJAK3MAPK14DHFR
SCHEMBL28298101 0.81 LCK (0.69) LCKKDRJAK3MAPK14DHFR
SCHEMBL12575879 0.81 LCK (0.55) LCKKDRJAK3MAPK14SRC
SCHEMBL41400 0.80 LCK (0.53) LCKKDRJAK3MAPK14DHFR
SCHEMBL27957917 0.80 KDR (0.49) LCKKDRJAK3MAPK14DHFR
SCHEMBL14009097 0.79 SRC (0.64) ABL1SRCBACE1ESR1ESR2
Benzene SCHEMBL27889171 0.77 LCK (0.50) LCKKDRJAK3MAPK14DHFR
SCHEMBL12575968 0.77 SRC (0.61) LCKKDRJAK3MAPK14SRC
SCHEMBL14936042 0.75 FGFR4 (0.43) LCKKDRJAK3MAPK14ABL1

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
CN-103140480-A Heterocyclic compounds, their preparation and their therapeutic use FOVEA PHARMACEUTICALS 2013-06-05 — — CN disclosed
US-20130123271-A1 HETEROCYCLIC COMPOUNDS, THEIR PREPARATION AND THERAPEUTIC APPLICATION FOVEA PHARMACEUTICALS (FR) 2013-05-16 — — US disclosed
EP-2585439-A1 HETEROCYCLIC COMPOUNDS, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION Fovea Pharmaceuticals (FR) 2013-05-01 — — EP disclosed
US-8389530-B2 Substituted quinazoline compounds FOVEA PHARMACEUTICALS (FR) 2013-03-05 — — US disclosed
CN-102333533-A Substituted quinazoline compounds FOVEA PHARMACEUTICALS SA 2012-01-25 — — CN disclosed
US-20120004210-A1 SUBSTITUTED QUINAZOLINE COMPOUNDS FOVEA PHARMACEUTICALS SA 2012-01-05 — — US disclosed
WO-2011161159-A1 HETEROCYCLIC COMPOUNDS, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION FOVEA PHARMACEUTICALS (FR) 2011-12-29 — — WO disclosed
WO-2010076238-A1 SUBSTITUTED QUINAZOLINE COMPOUNDS FOVEA PHARMACEUTICALS SA (FR) 2010-07-08 — — 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-20130123271-A1 HETEROCYCLIC COMPOUNDS, THEIR PREPARATION AND THERAPEUTIC APPLICATION CAMK2D, CAMK2A, CAMK2B LCK 244/4885KDR 969/4885JAK3 824/4885
US-20120004210-A1 SUBSTITUTED QUINAZOLINE COMPOUNDS MAP3K5, MAP3K1, MAP3K2 LCK 392/4885KDR 296/4885JAK3 258/4885

“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.