SCHEMBL17430822

SCHEMBL17430822

CC(C)(C)COc1ccc(F)c(Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.43
NPC1 O15118 2/20 0.43
MAPK1 P28482 1/20 0.43
HSD17B10 Q99714 1/20 0.43
HTR2A P28223 3/20 0.42
SLC6A4 P31645 3/20 0.42
KCNH2 Q12809 3/20 0.42
PDK2 Q15119 1/20 0.41
SOS1 Q07889 2/20 0.41
EGFR P00533 1/20 0.39
CXCR2 P25025 1/20 0.39
KDR P35968 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
HTT P42858 2/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MAOB P27338 2/20 0.36
MAOA P21397 1/20 0.36

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
SCHEMBL13310615 0.86 AR (0.44) HTR2ASLC6A4KCNH2PDK2MAOB
SCHEMBL17430827 0.83 PDK2 (0.44) HTR2ASLC6A4KCNH2PDK2SOS1
SCHEMBL10064788 0.83 KDM4E (0.49) KCNH2PDK2MEN1KMT2ASMN1; SMN2
SCHEMBL2625768 0.80 DRD2 (0.48) MAPTNPC1HTR2ASLC6A4KCNH2
SCHEMBL19229873 0.80 PDK2 (0.42) HTR2ASLC6A4KCNH2PDK2KMT2A
SCHEMBL1359316 0.79 NQO1 (0.50) MAPTNPC1MAPK1HSD17B10HTR2A
SCHEMBL8833538 0.79 MAPT (0.48) MAPTNPC1MAPK1HSD17B10CXCR2
SCHEMBL23364799 0.79 PDK2 (0.41) KCNH2PDK2
SCHEMBL29932965 0.79 PDK2 (0.41) KCNH2PDK2
SCHEMBL10648594 0.79 PDK2 (0.38) KCNH2PDK2MEN1KMT2AHTT

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-9550775-B2 Substituted triazolopyridines and methods of use thereof GENENTECH, INC. (US) 2017-01-24 US disclosed
US-9550775-B2 Substituted triazolopyridines and methods of use thereof GENENTECH, INC. (US) 2017-01-24 US disclosed
US-9493429-B2 Substituted benzoxazoles and methods of use thereof GENENTECH, INC. (US) 2016-11-15 US disclosed
US-20160009710-A1 SUBSTITUTED TRIAZOLOPYRIDINES AND METHODS OF USE THEREOF XENON PHARMACEUTICALS INC. (CA) 2016-01-14 US disclosed
US-20160009667-A1 SUBSTITUTED BENZOXAZOLES AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2016-01-14 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 (2 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-20160009710-A1 SUBSTITUTED TRIAZOLOPYRIDINES AND METHODS OF USE THEREOF P2RX3, P2RX1, P2RX4 MAPT 4773/4885NPC1 2361/4885MAPK1 2309/4885
US-20160009667-A1 SUBSTITUTED BENZOXAZOLES AND METHODS OF USE THEREOF CYP4X1, BRIX1, HAX1 MAPT 4746/4885NPC1 3379/4885MAPK1 3909/4885

“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.