SCHEMBL3313332

SCHEMBL3313332

Clc1ncc(Br)c(-c2cnc3ccccn23)n1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 4/20 0.46
PKM P14618 2/20 0.45
DYRK1A Q13627 1/20 0.43
MIF P14174 1/20 0.43
IRAK4 Q9NWZ3 4/20 0.42
CDK2 P24941 5/20 0.41
IGF1R P08069 3/20 0.41
EPHB3 P54753 1/20 0.39
PIK3CA P42336 1/20 0.39
KCNH2 Q12809 1/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
HDAC3 O15379 1/20 0.37
CDK7 P50613 1/20 0.37
CDK9 P50750 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37

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
SCHEMBL3314551 0.85 FLT3 (0.48) FLT3PKMDYRK1AMIFIRAK4
SCHEMBL700990 0.83 FLT3 (0.52) FLT3PKMDYRK1AMIFIRAK4
SCHEMBL3315346 0.83 DYRK1A (0.46) FLT3PKMDYRK1AMIFIRAK4
SCHEMBL3313051 0.80 PIK3CA (0.53) FLT3PKMDYRK1ACDK2IGF1R
SCHEMBL3314178 0.80 FLT3 (0.46) FLT3PKMDYRK1AMIFIRAK4
SCHEMBL2194914 0.74 MEN1 (0.38) CDK2IGF1RNPC1RAB9A
SCHEMBL182990 0.74 DYRK1A (0.66) FLT3PKMDYRK1AIRAK4CDK2
SCHEMBL3548956 0.73 IGF1R (0.45) PKMDYRK1AIRAK4CDK2IGF1R
SCHEMBL17373080 0.72 KDM4E (0.41) DYRK1ACDK2IGF1REPHB3PIK3CA
SCHEMBL10239811 0.71 DYRK1A (0.46) FLT3PKMDYRK1AMIFIRAK4

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
WO-2010049731-A1 PYRAZOLO- AND IMIDAZOPYRIDINYLPYRIMIDINEAMINES AS IGF-1R TYROSINE KINASE INHIBITORS ASTRAZENECA AB (SE) 2010-05-06 WO disclosed
US-20100105655-A1 NOVEL COMPOUNDS 515 ASTRAZENECA AB 2010-04-29 US disclosed
US-20100105655-A1 NOVEL COMPOUNDS 515 ASTRAZENECA AB 2010-04-29 US disclosed
US-20100105655-A1 NOVEL COMPOUNDS 515 ASTRAZENECA AB 2010-04-29 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-20100105655-A1 NOVEL COMPOUNDS 515 TYMS, ABCG2, UMPS FLT3 191/4885PKM 960/4885DYRK1A 3273/4885

“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.