SCHEMBL18917486

SCHEMBL18917486

Cc1cc(-n2nc(-c3cnn(C)c3)cc2N)n[nH]1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 5/20 0.45
NTRK1 P04629 2/20 0.45
AXL P30530 2/20 0.40
FGFR1 P11362 5/20 0.38
FGFR2 P21802 5/20 0.38
FGFR3 P22607 5/20 0.38
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
TP53 P04637 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
MAPT P10636 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
AURKA O14965 1/20 0.36
TTK P33981 1/20 0.36
AURKB Q96GD4 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
SCHEMBL13974671 0.74 AURKA (0.44) PIM1AXLFGFR1FGFR2FGFR3
SCHEMBL13974488 0.73 RAB9A (0.61) FGFR1FGFR2FGFR3MEN1NPC1
SCHEMBL1493391 0.68 PIM1 (0.50) PIM1AXLAURKATTKAURKB
SCHEMBL30505017 0.65 AXL (0.43) PIM1AXLCOMTKDM5A
SCHEMBL30505062 0.62 RET (0.43) PIM1NTRK1AXLFGFR1FGFR3
SCHEMBL14851064 0.62 LRRK2 (0.46) PIM1FGFR3MAPTAURKATTK
SCHEMBL28903782 0.62 PIM1 (0.50) PIM1AXLFGFR3MAPTAURKA
SCHEMBL14688974 0.62 PIM1 (0.77) PIM1PIM3PIM2
SCHEMBL15308525 0.61 CSF1R (0.51) FGFR1FGFR2FGFR3AURKAAURKB
SCHEMBL29061506 0.61 PIM1 (0.51) PIM1FGFR1FGFR2FGFR3MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9914736-B2 TrKA kinase inhibitors, compositions and methods thereof MERCK SHARP & DOHME CORP. (US) 2018-03-13 US disclosed
US-9914736-B2 TrKA kinase inhibitors, compositions and methods thereof MERCK SHARP & DOHME CORP. (US) 2018-03-13 US disclosed
US-9914736-B2 TrKA kinase inhibitors, compositions and methods thereof MERCK SHARP & DOHME CORP. (US) 2018-03-13 US disclosed
US-20170158698-A1 TrKA Kinase Inhibitors, Compositions and Methods Thereof MERCK SHARP & DOHME CORP. (US) 2017-06-08 US disclosed
US-20170158698-A1 TrKA Kinase Inhibitors, Compositions and Methods Thereof MERCK SHARP & DOHME CORP. (US) 2017-06-08 US disclosed
US-20170158698-A1 TrKA Kinase Inhibitors, Compositions and Methods Thereof MERCK SHARP & DOHME CORP. (US) 2017-06-08 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-20170158698-A1 TrKA Kinase Inhibitors, Compositions and Methods Thereof NGFR, NGF, NTRK2 PIM1 1085/4885NTRK1 4/4885AXL 359/4885

“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.