SCHEMBL940994

SCHEMBL940994

Cc1ccc(F)cc1CNc1ccc(N)c(N(C)C)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHFR P00374 2/20 0.37
MAP4K4 O95819 2/20 0.37
KCNH2 Q12809 2/20 0.36
CYP1A2 P05177 2/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2D6 P10635 2/20 0.36
MAPK1 P28482 2/20 0.36
CYP2C19 P33261 2/20 0.36
HSD17B10 Q99714 2/20 0.36
KCNQ3 O43525 1/20 0.36
KCNQ2 O43526 1/20 0.36
ABCB11 O95342 1/20 0.36
ESR1 P03372 1/20 0.36
HTR1A P08908 1/20 0.36
ADRA2A P08913 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
CYP2C9 P11712 1/20 0.36
ALOX15 P16050 1/20 0.36
NFKB1 P19838 1/20 0.36
TBXA2R P21731 1/20 0.36

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
SCHEMBL938904 0.80 HSD17B10 (0.50) KCNH2CYP1A2CYP3A4CYP2D6MAPK1
SCHEMBL937812 0.80 MAPT (0.46) CYP1A2CYP3A4CYP2D6MAPK1CYP2C19
SCHEMBL8043088 0.77 MAPK14 (0.35) STIM1ORAI1SCN1ASCN5ASCN8A
SCHEMBL938907 0.75 KCNQ2 (0.38) KCNH2CYP1A2CYP3A4CYP2D6MAPK1
SCHEMBL963640 0.69 KCNQ3 (0.50) KCNH2CYP1A2CYP3A4CYP2D6MAPK1
SCHEMBL954172 0.68 MAPK1 (0.51) KCNH2CYP1A2CYP3A4CYP2D6MAPK1
SCHEMBL23144800 0.66 MAPT (0.48) DHFRMAP4K4CYP1A2CYP3A4CYP2D6
SCHEMBL24726001 0.65 MAP4K4 (0.39) DHFRMAP4K4CYP1A2CYP3A4CYP2C19
SCHEMBL14035157 0.65 SLC6A4 (0.59) KCNH2SLC6A4SLC6A2SLC6A3ALDH1A1
SCHEMBL16625705 0.64 HSD17B10 (0.60) MAP4K4KCNH2CYP1A2CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110003866-A1 NOVEL 2-DIMETHYLAMINO-3-AMIDO-6-AMINO-PYRIDINE DERIVATIVES USEFUL AS POTASSIUM CHANNEL ACTIVATORS NEUROSEARCH A/S (DK) 2011-01-06 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-20110003866-A1 NOVEL 2-DIMETHYLAMINO-3-AMIDO-6-AMINO-PYRIDINE DERIVATIVES USEFUL AS POTASSIUM CHANNEL ACTIVATORS KCNA7, KCNJ2, KCNN3 DHFR 3377/4885MAP4K4 439/4885KCNH2 24/4885

“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.