SCHEMBL4521852

SCHEMBL4521852

CC(C)C(=O)c1c(-c2ccc(Cl)cc2)nn2cnccc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.38
KMT2A Q03164 4/20 0.38
MEN1 O00255 3/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
TSHR P16473 2/20 0.38
PDE5A O76074 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
MIF P14174 1/20 0.38
PDE4A P27815 1/20 0.38
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38
BLM P54132 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38

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
SCHEMBL3194201 0.81 ALDH1A1 (0.60) ALDH1A1KMT2AMEN1CYP1A2CYP2C9
SCHEMBL3187134 0.69 KMT2A (0.66) ALDH1A1KMT2AMEN1CYP1A2CYP2C9
SCHEMBL3193389 0.68 ALDH1A1 (0.60) ALDH1A1KMT2AMEN1CYP1A2CYP2C9
SCHEMBL14739944 0.68 ALOX5 (0.46) ALDH1A1KMT2AMEN1NPSR1KDM4E
SCHEMBL3207452 0.67 ALDH1A1 (0.57) ALDH1A1KMT2AMEN1CYP1A2CYP2C9
SCHEMBL3208171 0.65 MAPK14 (0.55) ALDH1A1KMT2AMEN1CYP1A2CYP2C9
SCHEMBL3200995 0.65 EGFR (0.43) ALDH1A1KMT2AMEN1CYP1A2CYP2C9
SCHEMBL3194325 0.64 KMT2A (0.42) ALDH1A1KMT2AMEN1CYP1A2CYP2C9
SCHEMBL3194318 0.64 KMT2A (0.42) ALDH1A1KMT2AMEN1CYP1A2CYP2C9
SCHEMBL683875 0.64 MIF (0.62) ALDH1A1KMT2AMEN1CYP1A2CYP2C9

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-20090318437-A1 SUBSTITUTED PYRAZOLO[1,5-a] PYRIDINE COMPOUNDS AND THEIR METHODS OF USE MEDICINOVA, INC. 2009-12-24 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-20090318437-A1 SUBSTITUTED PYRAZOLO[1,5-a] PYRIDINE COMPOUNDS AND THEIR METHODS OF USE PNPO, PDXK, CYP3A5 ALDH1A1 773/4885KMT2A 2430/4885MEN1 1564/4885

“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.