SCHEMBL216069

SCHEMBL216069

Cc1ccc(NC(=O)c2ncn(-c3nc4ccccc4[nH]3)c2C(N)=O)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MPO P05164 1/20 0.47
ADORA3 P0DMS8 2/20 0.47
NTRK1 P04629 2/20 0.46
LMNA P02545 3/20 0.45
GAA P10253 1/20 0.45
MAPT P10636 5/20 0.44
NPC1 O15118 4/20 0.44
RAB9A P51151 4/20 0.44
KDM4E B2RXH2 4/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
PKM P14618 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
OPRK1 P41145 1/20 0.44
KLF5 Q13887 1/20 0.44
FLT3 P36888 1/20 0.44
HPSE Q9Y251 1/20 0.41
NFKB1 P19838 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
SCHEMBL215784 0.89 MPO (0.49) MPONTRK1LMNAGAAMAPT
SCHEMBL216561 0.89 MAPT (0.49) ADORA3MAPTNPC1RAB9AKDM4E
SCHEMBL217226 0.87 MEN1 (0.48) NTRK1LMNAGAAMAPTNPC1
SCHEMBL216491 0.87 NTRK1 (0.47) NTRK1MAPTNPC1RAB9AKDM4E
SCHEMBL214714 0.86 MAPT (0.44) LMNAGAAMAPTNPC1RAB9A
SCHEMBL215699 0.85 MAPT (0.43) NTRK1LMNAMAPTKDM4ESMN1; SMN2
SCHEMBL215595 0.83 ALDH1A1 (0.46) LMNAMAPTNPC1RAB9AKDM4E
SCHEMBL213503 0.83 STK33 (0.39) LMNAMAPTNPC1RAB9AKDM4E
SCHEMBL213759 0.83 FADS1 (0.42) MAPTNPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL216364 0.83 NTRK1 (0.49) NTRK1LMNAMAPTNPC1RAB9A

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-8088767-B2 JAK-2 modulators and methods of use EXELIXIS, INC. (US) 2012-01-03 US claimed
US-20100136136-A1 JAK-2 Modulators and Methods of Use EXELIXIS, INC. (US) 2010-06-03 US claimed
US-8088767-B2 JAK-2 modulators and methods of use EXELIXIS, INC. (US) 2012-01-03 US disclosed
US-20100136136-A1 JAK-2 Modulators and Methods of Use EXELIXIS, INC. (US) 2010-06-03 US disclosed
EP-2061768-A2 IMIDAZOLE-4,5-DICARBOXAMIDE DERIVATIVES AS JAK-2 MODULATORS Exelixis, Inc. (US) 2009-05-27 EP disclosed
WO-2008042282-A2 IMIDAZOLE-4, 5-DICARBOXAMIDE DERIVATIVES AS JAK-2 MODULATORS EXELIXIS, INC. (US) 2008-04-10 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-20100136136-A1 JAK-2 Modulators and Methods of Use JAK2, JAK1, JAK3 MPO 2557/4885ADORA3 2980/4885NTRK1 2514/4885

“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.