SCHEMBL3397244

SCHEMBL3397244

CC(C)Oc1cccc(-c2ccnc(Cl)n2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 1/20 0.52
WDR5 P61964 1/20 0.47
KMO O15229 4/20 0.46
GABRA1 P14867 1/20 0.46
GABRG2 P18507 1/20 0.46
GABRB3 P28472 1/20 0.46
GABRA5 P31644 1/20 0.46
GABRA3 P34903 1/20 0.46
DYRK1A Q13627 2/20 0.44
CLK4 Q9HAZ1 2/20 0.44
DYRK1B Q9Y463 1/20 0.44
RXRA P19793 1/20 0.43
RXRB P28702 1/20 0.43
TRPV3 Q8NET8 1/20 0.43
CLK1 P49759 1/20 0.43
CNR1 P21554 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
KEAP1 Q14145 1/20 0.41
NFE2L2 Q16236 1/20 0.41

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
SCHEMBL1469470 0.95 MAP4K4 (0.48) MAP4K4WDR5KMOGABRA1GABRG2
SCHEMBL14638214 0.84 DYRK1A (0.60) MAP4K4DYRK1ACLK4DYRK1BCLK1
SCHEMBL29131069 0.81 MEN1 (0.50) KMODYRK1ACLK4DYRK1BCLK1
SCHEMBL3394323 0.78 CYP19A1 (0.53) DYRK1ACLK4DYRK1BCLK1MEN1
SCHEMBL21853980 0.77 KMO (0.41) MAP4K4KMODYRK1ACLK4DYRK1B
SCHEMBL14637950 0.77 GRM5 (0.49) KMODYRK1ACLK4DYRK1BTRPV3
SCHEMBL8252632 0.76 GABRA1 (0.54) MAP4K4WDR5GABRA1GABRG2GABRB3
SCHEMBL25168603 0.76 TSHR (0.49) DYRK1ACLK4DYRK1BCLK1MEN1
SCHEMBL21945931 0.76 SLC6A4 (0.61) CNR1MEN1KMT2AKDM4ELMNA
SCHEMBL20622487 0.76 SLC6A4 (0.61) CNR1MEN1KMT2AKDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8268822-B2 2-(amino-substituted)-4-aryl pyrimidines and related compounds useful for treating inflammatory diseases MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-09-18 US disclosed
US-7732444-B2 2-(amino-substituted)-4-aryl pyrimidines and related compounds useful for treating inflammatory diseases MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-06-08 US disclosed
EP-2123647-A1 2-(amino-substituted)-4-phenyl pyrimidines useful for treating inflammatory diseases Millennium Pharmaceuticals, Inc. (US) 2009-11-25 EP disclosed
EP-1701944-B1 2-(AMINO-SUBSTITUTED)-4-ARYL PYRAMIDINES AND RELATED COMPOUNDS USEFUL FOR TREATING INFLAMMATORY DISEASES MILLENNIUM PHARM INC (US) 2009-07-29 EP disclosed
EP-1701944-A2 2-(AMINO-SUBSTITUTED)-4-ARYL PYRAMIDINES AND RELATED COMPOUNDS USEFUL FOR TREATING INFLAMMATORY DISEASES MILLENNIUM PHARMACEUTICALS, INC. (US) 2006-09-20 EP disclosed
US-20060040968-A1 2-(Amino-substituted)-4-aryl pyrimidines and related compounds useful for treating inflammatory diseases MILLENNIUM PHARMACEUTICALS, INC. 2006-02-23 US disclosed
WO-2005066139-A2 2-(AMINO-SUBSTITUTED)-4-ARYL PYRAMIDINES AND RELATED COMPOUNDS USEFUL FOR TREATING INFLAMMATORY DISEASES MILLENNIUM PHARMACEUTICALS, INC. (US) 2005-07-21 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-20060040968-A1 2-(Amino-substituted)-4-aryl pyrimidines and related compounds useful for treating inflammatory diseases PRKCZ, PRKCQ, PRKCE MAP4K4 137/4885WDR5 3626/4885KMO 609/4885

“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.