SCHEMBL10061740

SCHEMBL10061740

C=C1NCc2cc(CN3CCC(F)(F)C3)ccc2N1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.37
PRMT5 O14744 1/20 0.35
WDR77 Q9BQA1 1/20 0.35
BACE1 P56817 1/20 0.35
CLK2 P49760 10/20 0.35
DYRK1A Q13627 9/20 0.35
CLK3 P49761 8/20 0.35
WNT1 P04628 2/20 0.35
DOCK5 Q9H7D0 1/20 0.33
TLR7 Q9NYK1 2/20 0.32
CNR2 P34972 1/20 0.32
PARP1 P09874 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
SCHEMBL24202536 0.69 GRM2 (0.42) GRM2BACE1TLR7
SCHEMBL3400443 0.67 ALDH1A1 (0.53) GRM2BACE1TLR7
SCHEMBL24522243 0.67 SIGMAR1 (0.46) GRM2TLR7
SCHEMBL25181316 0.67 PRMT6 (0.45) GRM2BACE1TLR7
SCHEMBL12176281 0.67 ALDH1A1 (0.51) CNR2
SCHEMBL3992623 0.66 CYP3A4 (0.56)
SCHEMBL15274470 0.66 GRM2 (0.40) GRM2BACE1CLK2DYRK1ACLK3
Hydrochloric Acid SCHEMBL25412712 0.65 CYP3A4 (0.54)
SCHEMBL12074618 0.65 ALDH1A1 (0.48) GRM2TLR7
SCHEMBL2558372 0.64 HRH3 (0.40) GRM2BACE1TLR7

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 GRM2 3632/4885PRMT5 797/4885WDR77 1066/4885

“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.