SCHEMBL4144602

SCHEMBL4144602

CSc1cccc(Oc2ccc3c(C)n[nH]c3c2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 14/20 0.43
CHEK1 O14757 5/20 0.43
FGFR1 P11362 5/20 0.43
LCK P06239 1/20 0.41
CDK4 P11802 1/20 0.41
CCND1 P24385 1/20 0.41
CCND3 P30281 1/20 0.41
ENPP3 O14638 1/20 0.36
ALPL P05186 1/20 0.36
ENPP1 P22413 1/20 0.36
XIAP P98170 1/20 0.36
TEK Q02763 1/20 0.36
ADORA2A P29274 1/20 0.34
ADORA2B P29275 1/20 0.34
KIT P10721 2/20 0.34
FLT3 P36888 2/20 0.34
NOTUM Q6P988 1/20 0.33
NPC1 O15118 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33

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
SCHEMBL4144286 0.83 ALDH1A1 (0.49) KDRCHEK1FGFR1LCKCDK4
SCHEMBL16576449 0.83 KDR (0.59) KDRCHEK1FGFR1LCKCDK4
SCHEMBL4144767 0.81 KIT (0.48) KDRCHEK1FGFR1LCKCDK4
SCHEMBL27805303 0.78 KDR (0.47) KDRCHEK1FGFR1LCKCDK4
SCHEMBL4155522 0.76 NR1H2 (0.45) KDRCHEK1FGFR1
SCHEMBL2448984 0.76 KDR (0.45) KDRCHEK1FGFR1LCKCDK4
SCHEMBL28637158 0.75 CYP1A1 (0.42) CYP1A2
SCHEMBL12907469 0.73 JAK2 (0.53) KDRCHEK1FGFR1CDK4CCND1
SCHEMBL27805305 0.73 CHEK1 (0.43) KDRCHEK1FGFR1ENPP3ALPL
SCHEMBL4134957 0.73 KDR (0.40) KDRCHEK1FGFR1LCKCDK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090143422-A1 P38 INHIBITORS AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC. (US) 2009-06-04 US claimed
EP-2039685-A2 Heterobicyclic compounds as P38 inhibitors Array Biopharma, Inc. (US) 2009-03-25 EP claimed

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-20090143422-A1 P38 INHIBITORS AND METHODS OF USE THEREOF MAPKAPK2, MAPK1, MAPK8 KDR 2788/4885CHEK1 511/4885FGFR1 1744/4885

“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.