SCHEMBL4991808

SCHEMBL4991808

COc1cc(-c2nccc(-c3cc4n(n3)CCNC4=O)n2)ccc1OCc1ccc(Cl)cc1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.41
S1PR5 Q9H228 1/20 0.41
HTT P42858 3/20 0.39
LMNA P02545 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
CDC7 O00311 1/20 0.39
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2D6 P10635 2/20 0.39
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.39
CYP2C19 P33261 1/20 0.39
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
LRRK2 Q5S007 3/20 0.38
F10 P00742 3/20 0.36
ADRB2 P07550 1/20 0.36
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL4997192 0.94 F10 (0.39) S1PR1S1PR5HTTLMNAHDAC8
SCHEMBL4996509 0.91 SIRT2 (0.42) S1PR1S1PR5LMNAHDAC8CDC7
SCHEMBL4993826 0.88 ALDH1A1 (0.40) S1PR1S1PR5HTTLMNAHDAC8
SCHEMBL14188666 0.85 CDC7 (0.46) CDC7MEN1KMT2ALRRK2
SCHEMBL14188457 0.85 CDC7 (0.50) CDC7LRRK2
SCHEMBL4997244 0.85 CDC7 (0.37) HTTLMNACDC7MEN1GAA
SCHEMBL5000330 0.85 MAPT (0.41) S1PR1S1PR5HTTHDAC8CDC7
SCHEMBL4995825 0.84 CDC7 (0.46) S1PR1LMNACDC7MEN1KMT2A
SCHEMBL14188644 0.84 PTGER1 (0.40) CDC7CYP1A2CYP3A4MEN1GAA
SCHEMBL4997120 0.84 NPC1 (0.44) LMNACDC7MEN1KMT2AMAPT

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-20080113971-A1 PYRAZOLE COMPOUNDS AS PROTEIN KINASE INHIBITORS HANAU CATHLEEN E 2008-05-15 US disclosed
US-20080113971-A1 PYRAZOLE COMPOUNDS AS PROTEIN KINASE INHIBITORS HANAU CATHLEEN E 2008-05-15 US disclosed
US-20080113971-A1 PYRAZOLE COMPOUNDS AS PROTEIN KINASE INHIBITORS HANAU CATHLEEN E 2008-05-15 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-20080113971-A1 PYRAZOLE COMPOUNDS AS PROTEIN KINASE INHIBITORS MKNK2, MAPKAPK2, MAP3K2 S1PR1 3592/4885S1PR5 2654/4885HTT 3406/4885

“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.