SCHEMBL216596

SCHEMBL216596

Cc1ccc(-n2cnc(C(N)=O)c2C(=O)Nc2ncc[nH]2)c(C)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGES O14684 8/20 0.38
HCAR1 Q9BXC0 1/20 0.38
POLB P06746 1/20 0.38
HPGDS O60760 1/20 0.37
TP53 P04637 4/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ALDH1A1 P00352 1/20 0.34
MAPT P10636 2/20 0.34
LMNA P02545 1/20 0.34
KDM4E B2RXH2 1/20 0.33
DYRK3 O43781 1/20 0.32
ROCK2 O75116 1/20 0.32
RPS6KA5 O75582 1/20 0.32
RPS6KA4 O75676 1/20 0.32
PRKD3 O94806 1/20 0.32
MAP4K4 O95819 1/20 0.32
CDK1 P06493 1/20 0.32
CSF1R P07333 1/20 0.32
CAPN1 P07384 1/20 0.32

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
SCHEMBL216150 0.80 PRKCI (0.50) MAPT
SCHEMBL217145 0.78 SMN1; SMN2 (0.39) HCAR1POLBTP53MEN1KMT2A
SCHEMBL216399 0.76 LMNA (0.45) HCAR1POLBMEN1KMT2AALDH1A1
SCHEMBL216647 0.76 NPC1 (0.54) POLBMEN1KMT2AALDH1A1MAPT
SCHEMBL214146 0.75 NPC1 (0.47) POLBTP53MEN1KMT2AALDH1A1
SCHEMBL213156 0.74 LMNA (0.46) POLBTP53MEN1KMT2AALDH1A1
SCHEMBL214874 0.74 RAB9A (0.50) TP53KMT2AALDH1A1MAPTLMNA
SCHEMBL213250 0.73 ROCK2 (0.40) HCAR1POLBTP53MEN1KMT2A
SCHEMBL215040 0.73 MEN1 (0.40) HCAR1POLBTP53MEN1KMT2A
SCHEMBL216710 0.73 MMP13 (0.45) POLBTP53ALDH1A1MAPTLMNA

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 PTGES 732/4885HCAR1 4180/4885POLB 3464/4885

“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.