SCHEMBL6509124

SCHEMBL6509124

NC(=O)Nc1cn(-c2cccc(-c3ccc(C(=O)NC4CC4)cc3)c2)nc1C(N)=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.49
MEN1 O00255 1/20 0.49
NPC1 O15118 1/20 0.49
KMT2A Q03164 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
SMYD3 Q9H7B4 2/20 0.47
JAK1 P23458 2/20 0.43
BACE1 P56817 2/20 0.43
MLLT3 P42568 1/20 0.42
MLLT1 Q03111 1/20 0.42
BMPR1B O00238 1/20 0.41
BMPR1A P36894 1/20 0.41
TGFBR1 P36897 1/20 0.41
ACVRL1 P37023 1/20 0.41
ACVR1 Q04771 1/20 0.41
SCN9A Q15858 1/20 0.41
CYP46A1 Q9Y6A2 1/20 0.41
MAPT P10636 2/20 0.40
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40

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
SCHEMBL6498801 0.93 IRAK4 (0.45) RAB9AMEN1NPC1KMT2ASMN1; SMN2
SCHEMBL6504994 0.86 IRAK4 (0.48) RAB9ANPC1SMN1; SMN2SCN9AMAPT
SCHEMBL6500705 0.85 MEN1 (0.44) RAB9AMEN1NPC1KMT2ASMN1; SMN2
SCHEMBL6504845 0.84 ITK (0.46) RAB9ANPC1SMN1; SMN2SCN9AMAPT
SCHEMBL6468716 0.84 BACE1 (0.44) RAB9AMEN1NPC1KMT2ASMN1; SMN2
SCHEMBL6468696 0.83 TP53 (0.43) SMN1; SMN2SCN9AMAPTKDM4ELMNA
SCHEMBL6501255 0.82 ITK (0.45) RAB9AMEN1NPC1KMT2ASMN1; SMN2
SCHEMBL6499548 0.82 ITK (0.45) RAB9AMEN1NPC1KMT2ASMN1; SMN2
SCHEMBL6499939 0.82 SCN9A (0.41) SCN9AITKKCNH2IRAK4
SCHEMBL6466393 0.81 KDM4E (0.38) RAB9ANPC1SMN1; SMN2JAK1SCN9A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050197338-A1 Substituted pyrazole urea compounds for the treatment of inflammation PHARMACIA AND UPJOHN COMPANY LLC 2005-09-08 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-20050197338-A1 Substituted pyrazole urea compounds for the treatment of inflammation IL4, ARG2, CASP4 RAB9A 2534/4885MEN1 4599/4885NPC1 3546/4885

“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.