SCHEMBL10061691

SCHEMBL10061691

C=C1Nc2ccc(N3CCN(CC(F)(F)F)CC3)cc2CN1C

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 10/20 0.39
HTR6 P50406 2/20 0.38
METAP2 P50579 1/20 0.36
CDK5 Q00535 1/20 0.35
CDK5R1 Q15078 1/20 0.35
BRD4 O60885 1/20 0.34
PDK2 Q15119 1/20 0.33
DRD3 P35462 1/20 0.33
VCP P55072 1/20 0.32
SIRT6 Q8N6T7 1/20 0.32

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
SCHEMBL10061667 0.85 CDK5 (0.44) CDK5CDK5R1BRD4SIRT6
SCHEMBL10061689 0.79 SLC6A2 (0.42) BRD4
SCHEMBL10061746 0.72 AR (0.41) BRD4
SCHEMBL19957378 0.69 BRD4 (0.45) CDK5CDK5R1BRD4
SCHEMBL12082892 0.67 MAPT (0.51) HTR6
SCHEMBL13548702 0.67 GAA (0.49) HTR6SIRT6
SCHEMBL10061688 0.66 GAA (0.44) CDK5CDK5R1SIRT6
SCHEMBL24721521 0.66 KCNH2 (0.63)
SCHEMBL25042438 0.65 HTR6 (0.42) HTR6
SCHEMBL13624060 0.65 HSD11B1 (0.47) 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 IDH1 999/4885HTR6 2203/4885METAP2 4455/4885

“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.