SCHEMBL4576518

SCHEMBL4576518

C[C@@H](Oc1nncc2cc(NC(=O)c3ccccc3)ccc12)C(F)(F)F

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIT P10721 3/20 0.52
KDR P35968 3/20 0.52
MAPK9 P45984 3/20 0.52
MAPK14 Q16539 3/20 0.52
LCK P06239 2/20 0.52
LYN P07948 1/20 0.52
MAPK10 P53779 1/20 0.52
NPC1 O15118 7/20 0.45
RAB9A P51151 7/20 0.45
JAK2 O60674 1/20 0.45
ALDH1A1 P00352 2/20 0.43
HTT P42858 3/20 0.42
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
MAPT P10636 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
TP53 P04637 1/20 0.41
LMNA P02545 2/20 0.41

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
SCHEMBL4576496 1.00 KIT (0.52) KITKDRMAPK9MAPK14LCK
SCHEMBL393448 1.00 KIT (0.52) KITKDRMAPK9MAPK14LCK
SCHEMBL4575832 0.89 KDR (0.49) KITKDRMAPK9MAPK14LCK
SCHEMBL397201 0.82 NPC1 (0.45) KDRNPC1RAB9AJAK2HTT
SCHEMBL397515 0.82 NPC1 (0.45) KDRNPC1RAB9AJAK2HTT
SCHEMBL398064 0.78 NPC1 (0.46) KDRNPC1RAB9AJAK2ALDH1A1
SCHEMBL602310 0.76 MAPK14 (0.46) KITKDRMAPK9MAPK14LCK
SCHEMBL3955501 0.76 MAPK14 (0.54) KITKDRMAPK9MAPK14LCK
SCHEMBL396047 0.73 MAPK14 (0.48) KITKDRMAPK9MAPK14LCK
SCHEMBL398290 0.73 MAPK14 (0.48) KITKDRMAPK9MAPK14LCK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080119468-A1 Phthalazine, aza-and diaza-phthalazine compounds and methods of use AMGEN INC. (US) 2008-05-22 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-20080119468-A1 Phthalazine, aza-and diaza-phthalazine compounds and methods of use DAPK2, CDK2, DAPK1 KIT 1977/4885KDR 683/4885MAPK9 764/4885

“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.