SCHEMBL4099491

SCHEMBL4099491

CC(=O)c1ccc(Oc2ncnc3ccccc23)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.60
NPC1 O15118 2/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
ALDH1A1 P00352 1/20 0.56
RXFP1 Q9HBX9 1/20 0.56
KDR P35968 3/20 0.53
RAF1 P04049 1/20 0.53
PDGFRB P09619 1/20 0.53
KIT P10721 1/20 0.53
FLT1 P17948 1/20 0.53
FLT4 P35916 1/20 0.53
EGFR P00533 2/20 0.51
MAPT P10636 1/20 0.50
HPGD P15428 1/20 0.50
BRAF P15056 1/20 0.50
MAPK14 Q16539 1/20 0.50
TNNI3K Q59H18 1/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
CSF1R P07333 6/20 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
SCHEMBL3977060 0.80 EGFR (0.57) RAB9ANPC1SMN1; SMN2ALDH1A1KDR
SCHEMBL3106181 0.80 EGFR (0.57) RAB9ANPC1SMN1; SMN2ALDH1A1KDR
SCHEMBL3979754 0.80 EGFR (0.69) RAB9ANPC1ALDH1A1KDRRAF1
SCHEMBL10751038 0.79 CYP1A2 (0.51) RAB9ANPC1KDRRAF1PDGFRB
SCHEMBL8200916 0.77 EGFR (0.57) RAB9ANPC1KDRRAF1PDGFRB
SCHEMBL24724237 0.77 KDR (0.50) RAB9AKDRKITEGFRMAPT
SCHEMBL10730537 0.77 KDR (0.60) RAB9ANPC1SMN1; SMN2ALDH1A1KDR
SCHEMBL17508505 0.77 EGFR (0.54) RAB9ANPC1SMN1; SMN2ALDH1A1KDR
Hydrochloric Acid SCHEMBL4731344 0.76 EGFR (0.56) RAB9ANPC1SMN1; SMN2KDRRAF1
SCHEMBL3635988 0.76 EGFR (0.62) RAB9ANPC1SMN1; SMN2KDRRAF1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090291971-A1 HETEROARYL ETHERS AND PROCESSES FOR THEIR PREPARATION WYETH (US) 2009-11-26 US disclosed
US-20090291971-A1 HETEROARYL ETHERS AND PROCESSES FOR THEIR PREPARATION WYETH (US) 2009-11-26 US disclosed
US-20090291971-A1 HETEROARYL ETHERS AND PROCESSES FOR THEIR PREPARATION WYETH (US) 2009-11-26 US disclosed
WO-2009058937-A2 HETEROARYL ETHERS AND PROCESSES FOR THEIR PREPARATION WYETH (US) 2009-05-07 WO disclosed
WO-2009058937-A2 HETEROARYL ETHERS AND PROCESSES FOR THEIR PREPARATION WYETH (US) 2009-05-07 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 (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-20090291971-A1 HETEROARYL ETHERS AND PROCESSES FOR THEIR PREPARATION AHR, MALT1, ABL1 RAB9A 3568/4885NPC1 3538/4885SMN1; SMN2 3057/4885

“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.