SCHEMBL4415500

SCHEMBL4415500

Cc1cnc2[nH]c3ccc(C#N)cc3c2c1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHUK O15111 1/20 0.51
CHEK1 O14757 9/20 0.43
AR P10275 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
CSNK1A1 P48729 1/20 0.41
CSNK1D P48730 1/20 0.41
GSK3B P49841 1/20 0.41
CSNK1G2 P78368 1/20 0.41
MAPK10 P53779 1/20 0.40
RIPK1 Q13546 1/20 0.40
CSF1R P07333 1/20 0.40
KIT P10721 1/20 0.40
FLT3 P36888 1/20 0.40
PDK2 Q15119 1/20 0.40
PDK4 Q16654 1/20 0.40

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
SCHEMBL28280007 0.82 ACHE (0.54) L3MBTL1PDK2PDK4
SCHEMBL16923633 0.79 CHUK (0.57) CHUKARL3MBTL1MEN1KMT2A
SCHEMBL23726618 0.78 GABRA1 (0.45) CHUKCHEK1ARL3MBTL1MEN1
SCHEMBL30071640 0.78 GABRA1 (0.45) CHUKCHEK1ARL3MBTL1MEN1
SCHEMBL4421221 0.77 CHUK (0.47) CHUKCHEK1ARKITPDK2
SCHEMBL13598869 0.77 PDK2 (0.43) PDK2PDK4
SCHEMBL20685567 0.77 KIF11 (0.53) CHUKMEN1KMT2APDK2PDK4
SCHEMBL20685571 0.77 CHUK (0.47) CHUKCHEK1MEN1KMT2ACSNK1A1
SCHEMBL10253473 0.77 CHEK1 (0.38) CHEK1PDK2PDK4
SCHEMBL4421034 0.77 PDK2 (0.43) CHEK1PDK2PDK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090326229-A1 ALPHA-CARBOLINE DERIVATIVES AND METHODS FOR PREPARATION THEREOF TAKEDA PHAMACEUTICAL COMPANY LIMITED (JP) 2009-12-31 US disclosed
US-20090326229-A1 ALPHA-CARBOLINE DERIVATIVES AND METHODS FOR PREPARATION THEREOF TAKEDA PHAMACEUTICAL COMPANY LIMITED (JP) 2009-12-31 US disclosed
US-20090326229-A1 ALPHA-CARBOLINE DERIVATIVES AND METHODS FOR PREPARATION THEREOF TAKEDA PHAMACEUTICAL COMPANY LIMITED (JP) 2009-12-31 US disclosed
WO-2008016184-A1 ALPHA-CARBOLINE DERIVATIVES AND METHODS FOR PREPARATION THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-02-07 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-20090326229-A1 ALPHA-CARBOLINE DERIVATIVES AND METHODS FOR PREPARATION THEREOF XDH, F7, CYP4X1 CHUK 709/4885CHEK1 1208/4885AR 1021/4885

“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.