SCHEMBL217145

SCHEMBL217145

Cc1ccc(-n2cnc(C(N)=O)c2C(=O)Nc2cc(C)nn2C)c(C)c1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.39
ATR Q13535 1/20 0.38
POLB P06746 1/20 0.38
KDM1A O60341 1/20 0.38
KDM4E B2RXH2 2/20 0.37
HTT P42858 1/20 0.37
MEN1 O00255 5/20 0.37
KMT2A Q03164 5/20 0.37
TP53 P04637 4/20 0.37
HCAR1 Q9BXC0 1/20 0.36
LMNA P02545 2/20 0.35
MAPT P10636 2/20 0.35
TSHR P16473 1/20 0.34
ENPP2 Q13822 1/20 0.33
ALOX15 P16050 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL216596 0.78 PTGES (0.38) POLBKDM4EMEN1KMT2ATP53
SCHEMBL214146 0.78 NPC1 (0.47) SMN1; SMN2POLBKDM4EHTTMEN1
SCHEMBL213156 0.75 LMNA (0.46) POLBMEN1KMT2ATP53LMNA
SCHEMBL216150 0.75 PRKCI (0.50) ATRMAPT
SCHEMBL216647 0.75 NPC1 (0.54) SMN1; SMN2POLBHTTMEN1KMT2A
SCHEMBL214874 0.73 RAB9A (0.50) SMN1; SMN2KDM4EKMT2ATP53LMNA
SCHEMBL216710 0.71 MMP13 (0.45) POLBKDM4EHTTTP53LMNA
SCHEMBL214569 0.71 ALDH1A1 (0.47) SMN1; SMN2POLBKDM4EMEN1KMT2A
SCHEMBL216399 0.70 LMNA (0.45) SMN1; SMN2POLBMEN1KMT2AHCAR1
SCHEMBL213975 0.69 KMT2A (0.42) SMN1; SMN2POLBKDM4EMEN1KMT2A

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 7 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
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
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 SMN1; SMN2 2516/4885ATR 2678/4885POLB 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.