SCHEMBL836070

SCHEMBL836070

Clc1cc(-c2cnc3cc(-c4ccncc4)cnn23)ccn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 2/20 0.49
FYN P06241 9/20 0.41
KDR P35968 1/20 0.41
NPC1 O15118 1/20 0.39
MAPT P10636 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
FGFR1 P11362 1/20 0.38
FGFR3 P22607 1/20 0.38
DYRK3 O43781 3/20 0.38
CCNA2 P20248 3/20 0.38
CDK2 P24941 3/20 0.38
CDK5 Q00535 3/20 0.38
DYRK1A Q13627 3/20 0.38
CDK5R1 Q15078 3/20 0.38
DYRK2 Q92630 3/20 0.38
DYRK1B Q9Y463 3/20 0.38
CCNT1 O60563 2/20 0.38
CDK9 P50750 2/20 0.38
HTT P42858 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
SCHEMBL835829 0.80 FYN (0.53) MKNK1FYNKDRNPC1MAPT
SCHEMBL836996 0.77 FYN (0.58) MKNK1FYNKDRFGFR1FGFR3
SCHEMBL837206 0.75 FGFR3 (0.70) FYNFGFR1FGFR3DYRK3DYRK1A
SCHEMBL837011 0.75 FYN (0.54) FYNNPC1RAB9ASMN1; SMN2FGFR1
SCHEMBL835972 0.74 FYN (0.69) FYN
SCHEMBL834014 0.73 MKNK1 (0.41) MKNK1FYNKDRMAPTDYRK1A
SCHEMBL4672168 0.73 LMNA (0.52) MAPTDYRK1A
SCHEMBL835537 0.70 BRAF (0.48) FYNKDRDYRK1A
SCHEMBL477064 0.67 DYRK1A (0.70) MKNK1FYNDYRK3CCNA2CDK2
SCHEMBL3031805 0.67 PRMT5 (0.47) FYNDYRK3CCNA2CDK2CDK5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8143253-B2 Organic compounds NOVARTIS AG (CH) 2012-03-27 US claimed
EP-2183027-B1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2011-08-31 EP claimed
US-20100204235-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-08-12 US claimed
US-8143253-B2 Organic compounds NOVARTIS AG (CH) 2012-03-27 US disclosed
EP-2183027-B1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2011-08-31 EP disclosed
US-20100204235-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-08-12 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-20100204235-A1 ORGANIC COMPOUNDS ALK, OR10J3, FFAR4 MKNK1 3948/4885FYN 971/4885KDR 60/4885

“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.