SCHEMBL19459337

SCHEMBL19459337

CC(C)(C)c1n[nH]c(N)c1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 5/20 0.42
HEXA P06865 1/20 0.41
HEXB P07686 1/20 0.41
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
POLB P06746 1/20 0.40
RAB9A P51151 1/20 0.40
ATM Q13315 1/20 0.40
KMT2A Q03164 2/20 0.40
MITF O75030 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TP53 P04637 1/20 0.40
NOTUM Q6P988 1/20 0.39
IKBKB O14920 2/20 0.38
MKNK1 Q9BUB5 1/20 0.36
MKNK2 Q9HBH9 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MEN1 O00255 1/20 0.36
MAPK11 Q15759 1/20 0.36
MAPK14 Q16539 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
SCHEMBL4412336 0.82 SMN1; SMN2 (0.42) HEXAHEXBNPC1KMT2AMITF
SCHEMBL10275234 0.81 KIF11 (0.44) KIF11HEXAHEXBKDM4ENPC1
SCHEMBL1012506 0.80 AKT2 (0.47) KDM4ENPC1POLBRAB9AKMT2A
SCHEMBL4898151 0.79 KDM4E (0.51) HEXAHEXBKDM4ENPC1RAB9A
SCHEMBL20837302 0.78 ENPP1 (0.41) HEXAHEXBNPC1POLBKMT2A
SCHEMBL20837397 0.76 MAPK14 (0.43) KDM4EPOLBRAB9AATMKMT2A
SCHEMBL20837142 0.75 MAPT (0.46) KDM4ENPC1POLBRAB9AKMT2A
SCHEMBL8496277 0.75 L3MBTL1 (0.50) KIF11KMT2AMITFALDH1A1TP53
SCHEMBL8490498 0.75 CCNE2 (0.44) NPC1POLBRAB9AKMT2AALDH1A1
SCHEMBL1279682 0.74 IKBKB (0.46) KDM4EKMT2AALDH1A1IKBKBMKNK1

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-10053430-B2 RAF kinase modulator compounds and methods of use thereof AMBIT BIOSCIENCES CORP. (US) 2018-08-21 US disclosed
US-20170298029-A1 RAF KINASE MODULATOR COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION (US) 2017-10-19 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-10053430-B2 RAF kinase modulator compounds and methods of use thereof BRAF, RAF1, ARAF KIF11 3170/4885HEXA 3577/4885HEXB 3660/4885
US-20170298029-A1 RAF KINASE MODULATOR COMPOUNDS AND METHODS OF USE THEREOF BRAF, RAF1, ARAF KIF11 3170/4885HEXA 3577/4885HEXB 3660/4885

“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.