SCHEMBL7083726

SCHEMBL7083726

CC(C)n1cc2c(=O)n(Cc3c(F)cccc3F)cnc2n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.44
MAPK1 P28482 1/20 0.44
CHRM1 P11229 1/20 0.41
ALDH1A1 P00352 3/20 0.40
LMNA P02545 3/20 0.40
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40
RAB9A P51151 1/20 0.40
TP53 P04637 1/20 0.40
POLB P06746 1/20 0.40
HPGD P15428 1/20 0.35
HTT P42858 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PKM P14618 1/20 0.35
KMT2A Q03164 1/20 0.35
ROCK2 O75116 1/20 0.34
AXL P30530 1/20 0.34
FLT3 P36888 1/20 0.34
MERTK Q12866 1/20 0.34
P2RX7 Q99572 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
SCHEMBL7083478 0.92 TSHR (0.55) TSHRMAPK1ALDH1A1LMNAKDM4E
SCHEMBL6997875 0.84 CHRM1 (0.52) TSHRMAPK1CHRM1ALDH1A1LMNA
SCHEMBL7081643 0.82 TSHR (0.45) TSHRMAPK1CHRM1ALDH1A1LMNA
SCHEMBL7077328 0.80 TSHR (0.43) TSHRMAPK1CHRM1ALDH1A1LMNA
SCHEMBL7081942 0.80 LMNA (0.46) TSHRMAPK1CHRM1ALDH1A1LMNA
SCHEMBL7077332 0.79 LMNA (0.48) MAPK1ALDH1A1LMNAKDM4EGAA
SCHEMBL7077294 0.78 TSHR (0.42) TSHRMAPK1CHRM1ALDH1A1LMNA
SCHEMBL7077458 0.78 LMNA (0.46) TSHRLMNAKDM4ETP53HPGD
SCHEMBL7077411 0.78 LMNA (0.45) TSHRMAPK1CHRM1ALDH1A1LMNA
SCHEMBL7077791 0.77 TSHR (0.58) TSHRMAPK1CHRM1ALDH1A1LMNA

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 3675/4885CHRM1 1530/4885

“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.