SCHEMBL4993022

SCHEMBL4993022

CCOc1cc(-c2nccc(-c3cc4n(n3)CCNC4=O)n2)cc(Br)c1OCc1ccccc1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.40
CYP1A2 P05177 3/20 0.40
CYP2C19 P33261 3/20 0.40
CYP2C9 P11712 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2D6 P10635 2/20 0.40
MAPT P10636 5/20 0.40
KMT2A Q03164 3/20 0.40
NPSR1 Q6W5P4 3/20 0.40
MEN1 O00255 2/20 0.40
CDC7 O00311 1/20 0.36
LMNA P02545 4/20 0.34
KDM4E B2RXH2 4/20 0.33
HTT P42858 3/20 0.33
ALDH1A1 P00352 3/20 0.33
HPGD P15428 2/20 0.33
RAB9A P51151 2/20 0.33
NPC1 O15118 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
TTR P02766 1/20 0.33

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
SCHEMBL4994984 0.93 CYP1A2 (0.40) SMN1; SMN2CYP1A2CYP2C19CYP2C9CYP3A4
SCHEMBL5002300 0.93 CDC7 (0.38) SMN1; SMN2CYP1A2CYP2C19CYP2C9CYP3A4
SCHEMBL4994827 0.92 KMT2A (0.41) SMN1; SMN2CYP1A2CYP2C19CYP2C9CYP3A4
SCHEMBL4991902 0.89 CDC7 (0.43) SMN1; SMN2MAPTKMT2AMEN1CDC7
SCHEMBL5000330 0.88 MAPT (0.41) SMN1; SMN2CYP1A2CYP2C19CYP2C9MAPT
SCHEMBL5002470 0.86 SMN1; SMN2 (0.39) SMN1; SMN2CYP1A2CYP2C19CYP3A4CYP2D6
SCHEMBL4996355 0.86 CDC7 (0.41) SMN1; SMN2KMT2AMEN1CDC7ALDH1A1
SCHEMBL5000323 0.85 CDC7 (0.42) SMN1; SMN2CYP1A2CYP2C19CYP2C9CYP3A4
SCHEMBL4999834 0.85 CDC7 (0.40) SMN1; SMN2KMT2AMEN1CDC7ALDH1A1
SCHEMBL4993826 0.85 ALDH1A1 (0.40) SMN1; SMN2MAPTKMT2ANPSR1MEN1

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 SMN1; SMN2 3576/4885CYP1A2 1229/4885CYP2C19 1768/4885

“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.