SCHEMBL12124010

SCHEMBL12124010

NCc1ccc2c(-c3ccc[nH]3)n[nH]c2c1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FGFR2 P21802 3/20 0.48
FGFR3 P22607 3/20 0.48
FGFR1 P11362 3/20 0.48
MAPKAPK2 P49137 1/20 0.43
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CHEK1 O14757 1/20 0.38
ITK Q08881 6/20 0.37
MAP2K4 P45985 1/20 0.37
CDK2 P24941 2/20 0.36
PRKCZ Q05513 1/20 0.36
GAA P10253 1/20 0.36
PKM P14618 1/20 0.36
GSK3A P49840 1/20 0.36
GSK3B P49841 1/20 0.36
AXL P30530 1/20 0.36
PDPK1 O15530 1/20 0.36
HSP90AB1 P08238 1/20 0.36
NTRK1 P04629 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
Hydrochloric Acid SCHEMBL6370902 0.79 AXL (0.54) FGFR2FGFR3FGFR1MAPKAPK2CHEK1
SCHEMBL12120910 0.78 ITK (0.42) FGFR2FGFR3FGFR1MAPKAPK2CYP1A2
SCHEMBL381383 0.75 IDO1 (0.58) FGFR1MAPKAPK2CYP1A2CYP2D6ITK
SCHEMBL3709693 0.74 TTK (0.58) FGFR2FGFR3FGFR1MAPKAPK2CHEK1
SCHEMBL5391597 0.73 PDPK1 (0.56) FGFR2FGFR3FGFR1CDK2GAA
SCHEMBL30882695 0.73 PDPK1 (0.56) FGFR2FGFR3FGFR1CDK2GAA
SCHEMBL5516155 0.72 MAPKAPK2 (0.57) MAPKAPK2ITKMAP2K4CDK2GSK3B
Hydrochloric Acid SCHEMBL7425346 0.72 PDPK1 (0.55) FGFR2FGFR3FGFR1CDK2GAA
Hydrochloric Acid SCHEMBL6371427 0.71 MAPT (0.51) MAPKAPK2CDK2PKMGSK3AGSK3B
Hydrochloric Acid SCHEMBL6370465 0.71 MAPK10 (0.68) MAPKAPK2MAP2K4AXLPDPK1NTRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110269958-A1 PYRIDONS AS PDK1 INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-03 US disclosed
WO-2010007114-A2 NEW CHEMICAL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-01-21 WO disclosed
WO-2010007116-A2 NEW CHEMICAL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-01-21 WO 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-20110269958-A1 PYRIDONS AS PDK1 INHIBITORS PDK1, PDK2, PDK4 FGFR2 2048/4885FGFR3 1552/4885FGFR1 694/4885

“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.