SCHEMBL10133069

SCHEMBL10133069

O=C(Cc1ccccc1)NCc1ccc(-c2ccccc2)cn1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 3/20 0.67
ALDH1A1 P00352 3/20 0.66
LMNA P02545 2/20 0.66
POLB P06746 1/20 0.65
KMT2A Q03164 2/20 0.56
MEN1 O00255 1/20 0.56
TRPV1 Q8NER1 1/20 0.53
GAA P10253 1/20 0.52
MAPT P10636 1/20 0.52
ABL1 P00519 1/20 0.51
TUBB4A P04350 1/20 0.51
TUBB P07437 1/20 0.51
LYN P07948 1/20 0.51
TUBA3C P0DPH7 1/20 0.51
BCR P11274 1/20 0.51
TUBA1B P68363 1/20 0.51
TUBA4A P68366 1/20 0.51
TUBB4B P68371 1/20 0.51
TUBB3 Q13509 1/20 0.51
TUBB2A Q13885 1/20 0.51

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
SCHEMBL31380221 0.89 SRC (0.79) SRCALDH1A1LMNAPOLBKMT2A
SCHEMBL2843471 0.83 LMNA (0.54) SRCLMNAPOLBLIPGHIF1A
SCHEMBL25304278 0.82 SRC (0.70) SRCALDH1A1LMNAPOLBKMT2A
SCHEMBL31380264 0.81 SRC (0.69) SRCALDH1A1LMNAPOLBKMT2A
SCHEMBL31380284 0.81 SRC (0.69) SRCALDH1A1LMNAPOLBKMT2A
SCHEMBL31380220 0.81 SRC (0.69) SRCALDH1A1LMNAKMT2AMEN1
SCHEMBL255157 0.81 SRC (1.00) SRCALDH1A1LMNAPOLBKMT2A
SCHEMBL10133036 0.80 ALDH1A1 (1.00) SRCALDH1A1LMNAKMT2AMEN1
SCHEMBL14758329 0.80 ALDH1A1 (1.00) SRCALDH1A1LMNAKMT2AMEN1
SCHEMBL10133177 0.80 POLB (0.60) ALDH1A1LMNAPOLBKMT2AGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8124605-B2 Compositions and methods for modulating a kinase cascade KINEX PHARMACEUTICALS, LLC (US) 2012-02-28 US disclosed
US-8124605-B2 Compositions and methods for modulating a kinase cascade KINEX PHARMACEUTICALS, LLC (US) 2012-02-28 US disclosed
US-20090149510-A1 Compositions and methods for modulating a kinase cascade OAKTREE FUND ADMINISTRATION, LLC 2009-06-11 US disclosed
US-20090149510-A1 Compositions and methods for modulating a kinase cascade OAKTREE FUND ADMINISTRATION, LLC 2009-06-11 US disclosed
WO-2009009041-A2 COMPOSITIONS AND METHODS FOR MODULATING A KINASE CASCADE KINEX PHARMACEUTICALS, LLC (US) 2009-01-15 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-20090149510-A1 Compositions and methods for modulating a kinase cascade MAP3K6, MAP3K4, MAP3K3 SRC 68/4885ALDH1A1 4811/4885LMNA 2046/4885

“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.