SCHEMBL215002

SCHEMBL215002

Cc1ccc(CNC(=O)c2ncn(-c3nc4ccccc4[nH]3)c2C(N)=O)c(C)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 5/20 0.43
SMN1; SMN2 Q16637 3/20 0.40
PKM P14618 2/20 0.40
TP53 P04637 2/20 0.40
LMNA P02545 1/20 0.40
RXFP1 Q9HBX9 1/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
SLC40A1 Q9NP59 2/20 0.38
POLB P06746 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
AHR P35869 1/20 0.38
HTT P42858 1/20 0.38
RECQL P46063 1/20 0.38
TDP1 Q9NUW8 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
SCHEMBL215699 0.88 MAPT (0.43) SMN1; SMN2TP53LMNAPOLBKMT2A
SCHEMBL217226 0.86 MEN1 (0.48) SMN1; SMN2PKMTP53LMNARXFP1
SCHEMBL213719 0.84 ALDH1A1 (0.44) SMN1; SMN2TP53LMNANPC1RAB9A
SCHEMBL213970 0.84 SMN1; SMN2 (0.48) SMN1; SMN2TP53RXFP1RAB9APOLB
SCHEMBL216143 0.84 NPC1 (0.49) SMN1; SMN2TP53LMNANPC1RAB9A
SCHEMBL216491 0.84 NTRK1 (0.47) SMN1; SMN2TP53NPC1RAB9APOLB
SCHEMBL213583 0.81 SLC40A1 (0.48) SLC40A1KDM4EALDH1A1
SCHEMBL216069 0.81 MPO (0.47) SMN1; SMN2PKMLMNANPC1RAB9A
SCHEMBL215784 0.81 MPO (0.49) SMN1; SMN2LMNANPC1RAB9APOLB
SCHEMBL213851 0.80 L3MBTL1 (0.46) SMN1; SMN2PKMTP53LMNARXFP1

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
EP-2061768-A2 IMIDAZOLE-4,5-DICARBOXAMIDE DERIVATIVES AS JAK-2 MODULATORS Exelixis, Inc. (US) 2009-05-27 EP claimed
WO-2008042282-A2 IMIDAZOLE-4, 5-DICARBOXAMIDE DERIVATIVES AS JAK-2 MODULATORS EXELIXIS, INC. (US) 2008-04-10 WO 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

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 PIK3CD 178/4885SMN1; SMN2 2516/4885PKM 934/4885

“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.