SCHEMBL5498972

SCHEMBL5498972

O=C(NC1CC1)c1ccc(C(F)(F)F)c(Cl)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 2/20 0.60
TAS1R1 Q7RTX1 2/20 0.60
TAS1R2 Q8TE23 2/20 0.60
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
KDM4E B2RXH2 1/20 0.48
POLB P06746 1/20 0.48
MAPT P10636 1/20 0.48
MAPK1 P28482 1/20 0.48
HPGD P15428 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
MAPK14 Q16539 3/20 0.46
HDAC4 P56524 1/20 0.46
MAPK11 Q15759 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
CNR2 P34972 1/20 0.45
MRGPRX4 Q96LA9 3/20 0.45
RAF1 P04049 2/20 0.44

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
SCHEMBL5490305 0.96 TAS1R3 (0.56) TAS1R3TAS1R1TAS1R2MEN1KMT2A
SCHEMBL24960538 0.94 TAS1R3 (0.54) TAS1R3TAS1R1TAS1R2HPGDL3MBTL1
SCHEMBL22468487 0.82 TAS1R3 (0.60) TAS1R3TAS1R1TAS1R2MEN1KMT2A
SCHEMBL27680624 0.82 TAS1R3 (0.60) TAS1R3TAS1R1TAS1R2MEN1KMT2A
SCHEMBL11627790 0.81 TAS1R3 (0.52) TAS1R3TAS1R1TAS1R2KDM4EPOLB
SCHEMBL531505 0.80 TAS1R3 (0.64) TAS1R3TAS1R1TAS1R2MEN1KMT2A
SCHEMBL6578591 0.78 ALDH1A1 (0.50) KDM4EPOLBMAPTHPGDL3MBTL1
SCHEMBL27660574 0.78 POLB (0.58) TAS1R3TAS1R1TAS1R2MEN1KMT2A
SCHEMBL1920001 0.77 TSHR (0.59) MAPTMRGPRX4
SCHEMBL29624981 0.77 TSHR (0.59) MAPTMRGPRX4

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
EP-1836174-B2 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC (US) 2019-10-02 EP disclosed
EP-1836174-B1 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC (US) 2013-02-27 EP disclosed
US-20070054916-A1 Aryl nitrogen-containing bicyclic compounds and methods of use AMGEN INC. 2007-03-08 US disclosed
US-20070054916-A1 Aryl nitrogen-containing bicyclic compounds and methods of use AMGEN INC. 2007-03-08 US disclosed
US-20070054916-A1 Aryl nitrogen-containing bicyclic compounds and methods of use AMGEN INC. 2007-03-08 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-20070054916-A1 Aryl nitrogen-containing bicyclic compounds and methods of use MAP3K1, MAP3K5, MAP3K2 TAS1R3 3338/4885TAS1R1 3052/4885TAS1R2 3458/4885

“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.