SCHEMBL1467441

SCHEMBL1467441

NCCCc1cccc(-c2ccnc(Cl)n2)c1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KARS1 Q15046 2/20 0.46
CAMK2D Q13557 2/20 0.40
CYP2A6 P11509 1/20 0.40
TAAR1 Q96RJ0 1/20 0.38
KMO O15229 3/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
SYK P43405 1/20 0.37
AKT2 P31751 1/20 0.37
CSNK2A1 P68400 1/20 0.37
PLK1 P53350 1/20 0.36
PTPN11 Q06124 1/20 0.36
DYRK1A Q13627 1/20 0.36
CLK4 Q9HAZ1 1/20 0.36
DYRK1B Q9Y463 1/20 0.36
HTR7 P34969 1/20 0.35

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
SCHEMBL977647 0.80 PRKCI (0.50) KMO
SCHEMBL1108271 0.80 IDO1 (0.48) KARS1CAMK2DKMOMEN1KMT2A
SCHEMBL5750187 0.77 KMO (0.43) KARS1CAMK2DKMOMEN1KMT2A
SCHEMBL3182783 0.77 HRH3 (0.51) KARS1CYP2A6AKT2HTR7
SCHEMBL19766402 0.76 KMO (0.39) KARS1CAMK2DKMOMEN1KMT2A
SCHEMBL3023148 0.76 MMP3 (0.47) KMOPLK1DYRK1ACLK4DYRK1B
SCHEMBL15087879 0.76 DYRK1A (0.44) KARS1KMOMEN1KMT2APLK1
SCHEMBL1466904 0.74 CAMK2D (0.58) KARS1CAMK2DKMOMEN1KMT2A
SCHEMBL1468172 0.74 DYRK1A (0.44) KARS1KMOPLK1DYRK1ACLK4
SCHEMBL1467440 0.74 DYRK1A (0.44) KARS1KMOPLK1DYRK1ACLK4

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 8 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-20110071134-A1 2-(AMINO-SUBSTITUTED)-4-ARYL PYRIMIDINES AND RELATED COMPOUNDS USEFUL FOR TREATING INFLAMMATORY DISEASES MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-03-24 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 (2 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-20110071134-A1 2-(AMINO-SUBSTITUTED)-4-ARYL PYRIMIDINES AND RELATED COMPOUNDS USEFUL FOR TREATING INFLAMMATORY DISEASES PRKCZ, PRKCQ, PRKCE KARS1 2987/4885CAMK2D 87/4885CYP2A6 2110/4885
US-20060040968-A1 2-(Amino-substituted)-4-aryl pyrimidines and related compounds useful for treating inflammatory diseases PRKCZ, PRKCQ, PRKCE KARS1 2987/4885CAMK2D 87/4885CYP2A6 2110/4885

“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.