SCHEMBL6467604

SCHEMBL6467604

NC(=O)Nc1cn(-c2ccc(C(=O)N3CCOCC3)cc2)nc1C(N)=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.46
ALDH1A1 P00352 5/20 0.45
KDM4E B2RXH2 2/20 0.45
MAPT P10636 1/20 0.45
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
TSHR P16473 3/20 0.45
PHGDH O43175 1/20 0.44
EPHX2 P34913 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
JAK2 O60674 1/20 0.43
JAK1 P23458 1/20 0.43
TYK2 P29597 1/20 0.43
JAK3 P52333 1/20 0.43
FLT3 P36888 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
GAA P10253 1/20 0.42

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
SCHEMBL6499834 0.89 HPGD (0.52) HPGDALDH1A1KDM4EMAPTHTT
SCHEMBL6506559 0.79 PARP1 (0.55) KDM4EHTTSMN1; SMN2KMT2A
SCHEMBL6507198 0.78 MAP4K4 (0.47) HPGDALDH1A1KDM4EMAPTSMN1; SMN2
SCHEMBL6500092 0.76 KDM4E (0.47) HPGDALDH1A1KDM4EMAPTHTT
SCHEMBL6470269 0.76 MAPT (0.44) HPGDALDH1A1KDM4EMAPTHTT
SCHEMBL6465833 0.76 ALDH1A1 (0.53) HPGDALDH1A1KDM4EMAPTCYP1A2
SCHEMBL6469788 0.76 KMT2A (0.46) ALDH1A1KDM4EMAPTHTTSMN1; SMN2
SCHEMBL6466511 0.76 ITK (0.44) HPGDALDH1A1KDM4EMAPTHTT
SCHEMBL6467527 0.76 KDM4E (0.47) ALDH1A1KDM4EMAPTHTTSMN1; SMN2
SCHEMBL6469794 0.76 LMNA (0.47) ALDH1A1KDM4EHTTSMN1; SMN2KMT2A

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 2 patents. 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
WO-2005037797-A1 SUBSTITUTED PYRAZOLE UREA COMPOUNDS FOR THE TREATMENT OF INFLAMMATION PHARMACIA CORPORATION (US) 2005-04-28 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-20050197338-A1 Substituted pyrazole urea compounds for the treatment of inflammation IL4, ARG2, CASP4 HPGD 1845/4885ALDH1A1 846/4885KDM4E 2424/4885

“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.