SCHEMBL12694151

SCHEMBL12694151

Cc1cnn(-c2ccccc2Cl)c1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.46
MAPK14 Q16539 3/20 0.41
MAPK11 Q15759 1/20 0.41
PDE4B Q07343 1/20 0.41
ALDH1A1 P00352 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
GAA P10253 2/20 0.40
LMNA P02545 1/20 0.40
KMT2A Q03164 2/20 0.40
POLB P06746 1/20 0.40
HPGD P15428 1/20 0.39
KCNN4 O15554 2/20 0.38
P2RX7 Q99572 1/20 0.38
OPRM1 P35372 1/20 0.38
GSK3B P49841 1/20 0.37
NOTUM Q6P988 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.37
MEN1 O00255 1/20 0.36
NPSR1 Q6W5P4 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
SCHEMBL13990279 0.82 KMT2A (0.48) PKMMAPK14ALDH1A1SMN1; SMN2LMNA
SCHEMBL12691754 0.80 ALDH1A1 (0.45) PKMMAPK14MAPK11PDE4BALDH1A1
SCHEMBL24694881 0.78 WNT3A (0.46) PKMMAPK14ALDH1A1SMN1; SMN2LMNA
SCHEMBL900154 0.77 NOTUM (0.44) PKMMAPK14MAPK11PDE4BALDH1A1
SCHEMBL6052554 0.77 NOTUM (0.55) MAPK14PDE4BALDH1A1KMT2AHPGD
SCHEMBL12523393 0.75 CYP17A1 (0.49) MAPK14ALDH1A1LMNAHPGDKCNN4
SCHEMBL3841619 0.72 MAPK1 (0.58) PKMSMN1; SMN2HPGDMAPT
SCHEMBL900158 0.72 PDE4B (0.58) PDE4BALDH1A1SMN1; SMN2GAALMNA
SCHEMBL8339620 0.72 PDE4B (0.62) PDE4BALDH1A1SMN1; SMN2KMT2APOLB
SCHEMBL5537237 0.72 PKM (0.43) PKMMAPK14MAPK11PDE4BALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120245176-A1 NOVEL PIPERAZINE ANALOGS WITH SUBSTITUTED HETEROARYL GROUPS AS BROAD-SPECTRUM INFLUENZA ANTIVIRALS BRISTOL-MYERS SQUIBB COMPANY 2012-09-27 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-20120245176-A1 NOVEL PIPERAZINE ANALOGS WITH SUBSTITUTED HETEROARYL GROUPS AS BROAD-SPECTRUM INFLUENZA ANTIVIRALS ZC3HAV1, ZC3HAV1L, BAZ2A PKM 4267/4885MAPK14 3334/4885MAPK11 2388/4885

“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.