SCHEMBL3338544

SCHEMBL3338544

Fc1ccc(Nc2ncc3ccccc3n2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 2/20 0.57
ROCK1 Q13464 1/20 0.53
MAP3K5 Q99683 1/20 0.51
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
MEN1 O00255 1/20 0.50
LMNA P02545 1/20 0.50
MAPT P10636 1/20 0.50
ALOX12 P18054 1/20 0.50
MAPK1 P28482 1/20 0.50
KMT2A Q03164 1/20 0.50
MAPK10 P53779 1/20 0.50
KCNH3 Q9ULD8 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
KDR P35968 2/20 0.49
PLK4 O00444 1/20 0.49
PDPK1 O15530 1/20 0.49
JAK2 O60674 1/20 0.49
PRKD3 O94806 1/20 0.49
MAP4K4 O95819 1/20 0.49

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
SCHEMBL31381352 0.86 MAP3K5 (0.60) AURKAROCK1MAP3K5NPC1RAB9A
Benzene SCHEMBL28188863 0.86 MAP3K5 (0.60) AURKAROCK1MAP3K5NPC1RAB9A
SCHEMBL167891 0.86 MAP3K5 (0.60) AURKAROCK1MAP3K5NPC1RAB9A
SCHEMBL27770482 0.86 MAP3K5 (0.60) AURKAROCK1MAP3K5NPC1RAB9A
Hydrochloric Acid SCHEMBL8807679 0.84 MAP3K5 (0.58) AURKAROCK1MAP3K5NPC1RAB9A
SCHEMBL4573935 0.84 MAP3K5 (0.58) AURKAROCK1MAP3K5NPC1RAB9A
SCHEMBL3339632 0.83 NPY5R (0.55) AURKAROCK1MAP3K5NPC1RAB9A
SCHEMBL27610222 0.83 ROCK1 (0.53) AURKAROCK1MAP3K5RAB9AMEN1
SCHEMBL6037487 0.83 ROCK1 (0.53) AURKAROCK1MAP3K5KDRPLK4
SCHEMBL4030061 0.83 MAP3K5 (0.55) AURKAROCK1MAP3K5MEN1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105753793-B Fragrant formyl urea coupling quinazoline compounds and preparation method thereof, pharmaceutical composition and medicinal usage 河北医科大学 2018-09-04 CN disclosed
CN-103382182-B Phenylurea coupling quinazoline compounds and preparation method thereof, pharmaceutical composition and medicinal usage 河北医科大学 2016-08-10 CN disclosed
US-8673929-B2 4,6-di- and 2,4,6-trisubstituted quinazoline derivatives and pharmaceutical compositions useful for treating viral infections GILEAD SCIENCES, INC. (US) 2014-03-18 US disclosed
US-20100143299-A1 4,6-DI- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2010-06-10 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-20100143299-A1 4,6-DI- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR TREATING VIRAL INFECTIONS OPRD1, IFNAR1, NR4A1 AURKA 3298/4885ROCK1 3105/4885MAP3K5 3016/4885

“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.