SCHEMBL213623

SCHEMBL213623

Cc1ccc(N(C(=O)c2nc[nH]c2C(N)=O)c2nc3cc(N4CCN(C)CC4)ccc3[nH]2)c(C)c1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAP2 P11137 1/20 0.36
KDM4E B2RXH2 2/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HRH4 Q9H3N8 4/20 0.34
FGFR1 P11362 4/20 0.34
BRD4 O60885 3/20 0.34
PDGFRB P09619 3/20 0.34
KDR P35968 3/20 0.34
JAK2 O60674 2/20 0.34
LRRK2 Q5S007 1/20 0.34
KCNH2 Q12809 1/20 0.34
JAK1 P23458 1/20 0.34
TYK2 P29597 1/20 0.34
JAK3 P52333 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
FLT1 P17948 1/20 0.33
CHEK1 O14757 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
SCHEMBL215550 0.83 MAP2 (0.34) MAP2KDM4ESMN1; SMN2HRH4JAK2
SCHEMBL217227 0.82 POLB (0.37) KDM4ENPC1RAB9ASMN1; SMN2TDP1
SCHEMBL214964 0.82 DRD4 (0.39) MAP2KDM4ESMN1; SMN2FGFR1PDGFRB
SCHEMBL214453 0.82 ALDH1A1 (0.37) MAP2KDM4EFGFR1PDGFRBKDR
Hydrochloric Acid SCHEMBL214494 0.81 ALDH1A1 (0.36) MAP2KDM4EFGFR1PDGFRBKDR
SCHEMBL214367 0.81 FAAH (0.40) NPC1RAB9ASMN1; SMN2FGFR1BRD4
SCHEMBL216124 0.80 PTGDR (0.40) KDM4ESMN1; SMN2TDP1
SCHEMBL214206 0.80 HTR1A (0.37) KDM4ESMN1; SMN2TDP1
SCHEMBL215214 0.79 KDM4E (0.41) KDM4ESMN1; SMN2JAK1TDP1
SCHEMBL216235 0.77 KDM4E (0.38) KDM4ENPC1RAB9ATDP1

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 4 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

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 MAP2 730/4885KDM4E 952/4885NPC1 3307/4885

“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.