SCHEMBL9106834

SCHEMBL9106834

Cc1ccc(-c2ccnc(C(C)(C)O)n2)cc1N

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 4/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
CYP11B1 P15538 1/20 0.38
KATNA1 O75449 1/20 0.37
MAP4K4 O95819 1/20 0.37
MINK1 Q8N4C8 1/20 0.37
TNIK Q9UKE5 1/20 0.37
AAK1 Q2M2I8 2/20 0.37
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MAPT P10636 2/20 0.36
PKM P14618 1/20 0.36
HPGD P15428 1/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
AURKA O14965 1/20 0.36
TTK P33981 1/20 0.36

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
SCHEMBL9107202 0.88 NPC1 (0.41) KMONPC1RAB9ACYP11B1KATNA1
SCHEMBL31225056 0.83 KMO (0.40) KMONPC1RAB9AMAP4K4MINK1
SCHEMBL3342237 0.79 KDM4E (0.53) KMONPC1RAB9ACYP11B1KATNA1
SCHEMBL9104372 0.78 KMO (0.44) KMOAAK1KDM4EALDH1A1MAPT
SCHEMBL7236570 0.70 CCR1 (0.55) NPC1RAB9ACYP11B1KATNA1KDM4E
SCHEMBL14989814 0.70 MAPKAPK2 (0.44) KMOAAK1ALDH1A1SMN1; SMN2
SCHEMBL14926090 0.69 NOS3 (0.34) MAP4K4MINK1TNIKKDM4EMEN1
SCHEMBL30041346 0.69 NOS3 (0.34) MAP4K4MINK1TNIKKDM4EMEN1
SCHEMBL24759813 0.69 MAPKAPK2 (0.42) MAP4K4MINK1TNIKAAK1
SCHEMBL32670883 0.69 MAPKAPK2 (0.42) MAP4K4MINK1TNIKAAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8563558-B2 Substituted pyridine urea compounds CONFLUENCE LIFE SCIENCES, INC. (US) 2013-10-22 US disclosed
WO-2012078673-A1 SUBSTITUTED PYRIDINE UREA COMPOUNDS CONFLUENCE LIFE SCIENCES, INC. (US) 2012-06-14 WO disclosed
US-20120142708-A1 SUBSTITUTED PYRIDINE UREA COMPOUNDS ACLARIS THERAPEUTICS, INC. 2012-06-07 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-20120142708-A1 SUBSTITUTED PYRIDINE UREA COMPOUNDS MAPK1, MAP3K1, MAP3K8 KMO 2754/4885NPC1 2599/4885RAB9A 1159/4885

“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.