SCHEMBL3450353

SCHEMBL3450353

COc1cc(-c2c(NCCCN(C)C)nc(N)nc2-c2ccc(F)c(Cl)c2)cc(OC)n1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RET P07949 1/20 0.40
KIF5B P33176 1/20 0.40
POLB P06746 2/20 0.39
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
FLT3 P36888 6/20 0.38
ILK Q13418 1/20 0.38
RAD52 P43351 2/20 0.37
RXFP1 Q9HBX9 1/20 0.37
KCNH2 Q12809 1/20 0.37
CALCA P06881 1/20 0.36
MAP4K4 O95819 1/20 0.35
KDM1A O60341 1/20 0.35
EHMT2 Q96KQ7 1/20 0.35
RCOR1 Q9UKL0 1/20 0.35
IDO1 P14902 1/20 0.35
TDO2 P48775 1/20 0.35

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
SCHEMBL3449219 0.90 KCNH2 (0.46) RETKIF5BPOLBADORA2AADORA1
SCHEMBL3449074 0.90 FLT3 (0.44) RETKIF5BPOLBADORA2AADORA1
SCHEMBL3450369 0.89 RET (0.42) RETKIF5BPOLBADORA2AADORA1
SCHEMBL3449257 0.88 ADORA2A (0.41) RETKIF5BPOLBADORA2AADORA1
SCHEMBL3451732 0.88 RET (0.39) RETKIF5BPOLBADORA2AADORA1
SCHEMBL3449757 0.86 STK17A (0.42) RETKIF5BPOLBADORA2AADORA1
SCHEMBL3447677 0.85 MAP4K4 (0.40) RETKIF5BPOLBADORA2AADORA1
SCHEMBL3450267 0.85 RET (0.46) RETKIF5BPOLBADORA2AADORA1
SCHEMBL3450862 0.85 ROCK2 (0.36) RETKIF5BPOLBADORA2AADORA1
SCHEMBL3450498 0.85 RET (0.41) RETKIF5BPOLBADORA2AADORA1

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-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB 2010-06-03 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-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF SDHA, SDHB, UROD RET 3445/4885KIF5B 4782/4885POLB 1098/4885

“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.