SCHEMBL10061745

SCHEMBL10061745

C=C1NCc2cc(N3CCC(O)C3)ccc2N1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.42
CDK1 P06493 1/20 0.39
CDK2 P24941 1/20 0.39
ABL1 P00519 1/20 0.38
LOXL2 Q9Y4K0 1/20 0.36
SLC40A1 Q9NP59 1/20 0.35
AXL P30530 1/20 0.34
MERTK Q12866 1/20 0.34
WDR91 A4D1P6 1/20 0.34
RAD52 P43351 1/20 0.34
GRIA1 P42261 3/20 0.33
HTR6 P50406 1/20 0.33

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
SCHEMBL10061746 0.78 AR (0.41) ARCDK1CDK2ABL1LOXL2
SCHEMBL10061688 0.77 GAA (0.44)
SCHEMBL10061699 0.76 SLC6A2 (0.41)
SCHEMBL8807339 0.67 SLC6A4 (0.52)
SCHEMBL17025296 0.65 AR (0.68) ARCDK1CDK2ABL1LOXL2
SCHEMBL17605181 0.65 AR (0.46) ARCDK1CDK2ABL1LOXL2
SCHEMBL16089354 0.65 HTR5A (0.44)
SCHEMBL9983829 0.64 AR (0.48) ARCDK1CDK2ABL1LOXL2
SCHEMBL18399080 0.64 ABL1 (0.48) ARCDK1CDK2ABL1SLC40A1
SCHEMBL10061747 0.64 GAA (0.42) HTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8207179-B2 Substituted indolines as tyrosine kinase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-26 US disclosed
US-20100222331-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-02 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-20100222331-A1 NEW COMPOUNDS CCNA1, CCNY, MKI67 AR 1419/4885CDK1 13/4885CDK2 20/4885

“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.