SCHEMBL6470193

SCHEMBL6470193

CCCc1cc2ccccc2[c]n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.40
CTSK P43235 3/20 0.40
NOS3 P29474 1/20 0.37
NOS1 P29475 1/20 0.37
NOS2 P35228 1/20 0.37
ALDH1A1 P00352 4/20 0.35
HPGD P15428 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
SREBF2 Q12772 1/20 0.35
KMT2A Q03164 1/20 0.35
HSD17B10 Q99714 2/20 0.35
NPC1 O15118 1/20 0.35
TP53 P04637 1/20 0.35
RAB9A P51151 1/20 0.35
GAA P10253 2/20 0.34
BACE1 P56817 1/20 0.34
NAMPT P43490 1/20 0.34
ABCB11 O95342 1/20 0.34
LMNA P02545 1/20 0.34
CYP1A2 P05177 1/20 0.34

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
SCHEMBL9310605 0.90 ABCB11 (0.44) NOS2KMT2ANPC1ABCB11LMNA
SCHEMBL6465708 0.85 CYP1A2 (0.35) SMN1; SMN2ABCB11LMNACYP1A2CYP2D6
SCHEMBL6841772 0.78 HTR2A (0.35) CYP1A2CYP2D6
SCHEMBL2139890 0.75 CALM1 (0.38) ALDH1A1SMN1; SMN2NPC1RAB9ATDP1
SCHEMBL4457753 0.74 PDE4A (0.32)
SCHEMBL9870201 0.72 ALDH1A1 (0.35) KDM4EALDH1A1HPGDNPC1TDP1
SCHEMBL558134 0.71 CYP1A2 (0.43) KDM4EALDH1A1HPGDSMN1; SMN2NPC1
SCHEMBL27880422 0.69 KDM4E (0.47) KDM4ECTSKNOS3NOS1NOS2
SCHEMBL6114924 0.68 ATM (0.57) KDM4ECTSKALDH1A1HPGDSREBF2
SCHEMBL3643104 0.67 ALDH1A1 (0.34) KDM4EALDH1A1HPGDSMN1; 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 4 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 claimed
WO-2005037797-A1 SUBSTITUTED PYRAZOLE UREA COMPOUNDS FOR THE TREATMENT OF INFLAMMATION PHARMACIA CORPORATION (US) 2005-04-28 WO claimed
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 KDM4E 2424/4885CTSK 1617/4885NOS3 93/4885

“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.