SCHEMBL7077563

SCHEMBL7077563

CCn1cc2c(=O)n(Cc3c(F)cccc3Cl)cnc2n1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.56
MAPK1 P28482 1/20 0.56
ALDH1A1 P00352 3/20 0.50
KDM4E B2RXH2 1/20 0.50
GAA P10253 1/20 0.50
RAB9A P51151 1/20 0.50
PKM P14618 1/20 0.47
KMT2A Q03164 4/20 0.47
LMNA P02545 2/20 0.46
HTT P42858 2/20 0.45
HPGD P15428 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
POLB P06746 1/20 0.42
MEN1 O00255 3/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.40
THRB P10828 1/20 0.39
SLC22A12 Q96S37 1/20 0.39

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
SCHEMBL7081643 0.92 TSHR (0.45) TSHRMAPK1ALDH1A1KDM4EGAA
SCHEMBL7084870 0.92 TSHR (0.54) TSHRMAPK1ALDH1A1KDM4EGAA
SCHEMBL7082154 0.90 TSHR (0.52) TSHRMAPK1ALDH1A1KDM4EGAA
SCHEMBL7081940 0.88 LMNA (0.56) TSHRMAPK1ALDH1A1KDM4EGAA
SCHEMBL7077791 0.87 TSHR (0.58) TSHRMAPK1ALDH1A1KDM4EGAA
SCHEMBL7083478 0.84 TSHR (0.55) TSHRMAPK1ALDH1A1KDM4EGAA
SCHEMBL7077328 0.83 TSHR (0.43) TSHRMAPK1ALDH1A1KDM4EGAA
SCHEMBL7083038 0.83 TSHR (0.53) TSHRMAPK1ALDH1A1KDM4EGAA
SCHEMBL7077294 0.81 TSHR (0.42) TSHRMAPK1ALDH1A1KDM4EGAA
SCHEMBL7077411 0.81 LMNA (0.45) TSHRMAPK1ALDH1A1KDM4EGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030186997-A1 2,5-Dihydro-pyrazolo[3,4-d]pyrimidin-4-ones with an anticonsulsive action and methods for producing the same ELBION AG (DE) 2003-10-02 US claimed
US-20030186997-A1 2,5-Dihydro-pyrazolo[3,4-d]pyrimidin-4-ones with an anticonsulsive action and methods for producing the same ELBION AG (DE) 2003-10-02 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-20030186997-A1 2,5-Dihydro-pyrazolo[3,4-d]pyrimidin-4-ones with an anticonsulsive action and methods for producing the same DDO, GRIN3A, GRIK4 TSHR 3213/4885MAPK1 3675/4885ALDH1A1 568/4885

“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.