SCHEMBL4172633

SCHEMBL4172633

CC(C)Nc1nc(-c2ccccn2)cc(-c2cccnc2)c1-c1cnn(C)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IRAK1 P51617 3/20 0.48
IRAK4 Q9NWZ3 1/20 0.48
DYRK1A Q13627 1/20 0.42
ACVR1B P36896 1/20 0.41
TGFBR1 P36897 1/20 0.41
CYP2A6 P11509 2/20 0.40
MAPT P10636 3/20 0.40
TRPM8 Q7Z2W7 2/20 0.40
MITF O75030 1/20 0.40
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PIM1 P11309 1/20 0.39
PIM3 Q86V86 1/20 0.39
PIM2 Q9P1W9 1/20 0.39
MCL1 Q07820 1/20 0.39
JUN P05412 1/20 0.38
MAPK8 P45983 1/20 0.38
MAPK10 P53779 1/20 0.38
HTT P42858 1/20 0.37

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
SCHEMBL3717702 0.76 IRAK1 (0.44) IRAK1IRAK4ACVR1BTGFBR1MAPT
SCHEMBL4177437 0.74 PIM1 (0.50) IRAK1IRAK4PIM1CYP2C19FLT3
SCHEMBL22874228 0.68 CYP2A6 (0.68) CYP2A6LMNASMN1; SMN2L3MBTL1PIM1
SCHEMBL29561753 0.68 PIM1 (0.60) ACVR1BTGFBR1CYP2A6MAPTLMNA
SCHEMBL357658 0.68 PIM1 (0.60) ACVR1BTGFBR1CYP2A6MAPTLMNA
SCHEMBL3721843 0.68 ACVR1B (0.44) DYRK1AACVR1BTGFBR1MAPTPIM1
SCHEMBL3716550 0.67 ACVR1B (0.42) IRAK1IRAK4DYRK1AACVR1BTGFBR1
SCHEMBL3722828 0.67 ACVR1B (0.46) DYRK1AACVR1BTGFBR1PIM1PIM3
SCHEMBL29736927 0.67 DYRK1A (0.69) DYRK1ACYP2A6MAPTLMNASMN1; SMN2
SCHEMBL12535875 0.67 DYRK1A (0.69) DYRK1ACYP2A6MAPTLMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8343966-B2 Organic compounds NOVARTIS AG (CH) 2013-01-01 US disclosed
US-20090215776-A1 Organic compounds ADCOCK CLAIRE 2009-08-27 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-20090215776-A1 Organic compounds REN, RXFP1, MYLK IRAK1 356/4885IRAK4 569/4885DYRK1A 4748/4885

“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.