SCHEMBL3722828

SCHEMBL3722828

Cn1cc(-c2cncc(-c3cc(N)nc(-c4ccccn4)c3)c2)cn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACVR1B P36896 1/20 0.46
TGFBR1 P36897 1/20 0.46
MKNK1 Q9BUB5 2/20 0.44
MKNK2 Q9HBH9 2/20 0.44
PIM1 P11309 2/20 0.44
PIM3 Q86V86 1/20 0.44
PIM2 Q9P1W9 1/20 0.44
DYRK1A Q13627 2/20 0.42
MET P08581 3/20 0.41
JUN P05412 1/20 0.40
MAPK8 P45983 1/20 0.40
MAPK10 P53779 1/20 0.40
ALOX5AP P20292 1/20 0.39
FEN1 P39748 1/20 0.39
MPO P05164 1/20 0.38
IKBKE Q14164 1/20 0.38
TBK1 Q9UHD2 1/20 0.38
CHEK1 O14757 1/20 0.38
SMARCA2 P51531 1/20 0.38
SMARCA4 P51532 1/20 0.38

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
SCHEMBL3724847 0.84 ACVR1B (0.44) ACVR1BTGFBR1MKNK1MKNK2PIM1
SCHEMBL3721843 0.84 ACVR1B (0.44) ACVR1BTGFBR1MKNK1MKNK2PIM1
SCHEMBL3722316 0.82 ACVR1B (0.43) ACVR1BTGFBR1MKNK1MKNK2PIM1
SCHEMBL3717702 0.81 IRAK1 (0.44) ACVR1BTGFBR1MKNK1MKNK2PIM1
SCHEMBL3716550 0.81 ACVR1B (0.42) ACVR1BTGFBR1MKNK1MKNK2PIM1
SCHEMBL3715119 0.81 CYP11B2 (0.47) TGFBR1MKNK1PIM1PIM3PIM2
SCHEMBL3723366 0.80 MET (0.49) MKNK1MKNK2METALK
SCHEMBL3718389 0.80 MAP4K3 (0.53) PIM1METALK
SCHEMBL3721646 0.80 MET (0.44) DYRK1AMETCLK2
SCHEMBL3663765 0.78 CCR1 (0.40) DYRK1A

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
EP-2242742-B1 PYRIDINE DERIVATIVES NOVARTIS AG (CH) 2015-12-02 EP disclosed
US-8343966-B2 Organic compounds NOVARTIS AG (CH) 2013-01-01 US disclosed
EP-2242742-A2 ORGANIC COMPOUNDS Novartis AG (CH) 2010-10-27 EP disclosed
US-20090215776-A1 Organic compounds ADCOCK CLAIRE 2009-08-27 US disclosed
WO-2009087212-A2 PYRIDINE DERIVATIVES NOVARTIS AG (CH) 2009-07-16 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-20090215776-A1 Organic compounds REN, RXFP1, MYLK ACVR1B 68/4885TGFBR1 187/4885MKNK1 4339/4885

“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.