SCHEMBL3311968

SCHEMBL3311968

Cc1ncc(-c2cc(N)cc(C(F)(F)F)c2)n1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATP1A1 P05023 1/20 0.43
ATP1B1 P05026 1/20 0.43
ATP1A3 P13637 1/20 0.43
ATP1B2 P14415 1/20 0.43
ATP1A2 P50993 1/20 0.43
ATP1B3 P54709 1/20 0.43
FXYD2 P54710 1/20 0.43
ATP1A4 Q13733 1/20 0.43
NR2E1 Q9Y466 1/20 0.43
MAPT P10636 5/20 0.40
USP2 O75604 3/20 0.40
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
GSK3B P49841 6/20 0.36
DYRK1A Q13627 6/20 0.36
TP53 P04637 2/20 0.36
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
IKBKB O14920 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
SCHEMBL6756618 0.80 ATP1A1 (0.40) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL6760162 0.77 USP2 (0.45) MAPTUSP2CYP1A2CYP3A4CYP2D6
SCHEMBL6754289 0.75 MAPT (0.48) MAPTUSP2CYP1A2CYP3A4CYP2D6
SCHEMBL22549150 0.75 NR2E1 (0.47) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL3312215 0.75 IDO1 (0.41) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL31729790 0.73 NR2E1 (0.44) NR2E1POLBGAAIKBKBMAPK1
SCHEMBL6754326 0.72 MAP4K4 (0.49) MAPTUSP2CYP1A2CYP3A4CYP2D6
SCHEMBL13225982 0.72 SMN1; SMN2 (0.49) NR2E1CYP3A4POLBIKBKBMAPK1
SCHEMBL716180 0.71 TSHR (0.50) NR2E1MAPTPOLBGAAIKBKB
SCHEMBL29576147 0.71 TSHR (0.50) NR2E1MAPTPOLBGAAIKBKB

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-8217045-B2 Organic compounds NOVARTIS AG (CH) 2012-07-10 US disclosed
US-20100113467-A1 Organic Compounds NOVARTIS AG 2010-05-06 US disclosed
CN-101687801-A Ethers of naphtalene carboxylic acid amides as cancer cure NOVARTIS AG 2010-03-31 CN disclosed
EP-2146964-A2 ETHERS OF NAPHTALENE CARBOXYLIC ACID AMIDES AS CANCER CURE Novartis Ag (CH) 2010-01-27 EP disclosed
WO-2008125691-A2 ETHERS OF NAPHTALENE CARBOXYLIC ACID AMIDES AS CANCER CURE NOVARTIS AG (CH) 2008-10-23 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-20100113467-A1 Organic Compounds SLCO2A1, SLCO1B1, SLCO2B1 ATP1A1 568/4885ATP1B1 766/4885ATP1A3 1791/4885

“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.