SCHEMBL7083035

SCHEMBL7083035

Cn1cc2c(=O)n(Cc3ccc(Cl)cc3Cl)cnc2n1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
CYP2D6 P10635 2/20 0.57
CYP2C19 P33261 2/20 0.57
CYP1A2 P05177 1/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2C9 P11712 1/20 0.57
MAPK1 P28482 1/20 0.57
HTT P42858 1/20 0.57
DDR1 Q08345 5/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
LMNA P02545 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
ABL1 P00519 1/20 0.41
POLB P06746 1/20 0.41
RIN1 Q13671 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ACP1 P24666 1/20 0.41

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
SCHEMBL7000340 0.85 ALDH1A1 (0.50) TSHRSMN1; SMN2CYP2D6CYP2C19CYP1A2
SCHEMBL7081478 0.84 TP53 (0.52) TSHRCYP2C19CYP1A2CYP3A4MAPK1
SCHEMBL6997073 0.81 FSCN1 (0.54) SMN1; SMN2MAPK1HTTALDH1A1TP53
SCHEMBL7004861 0.80 SMN1; SMN2 (0.56) TSHRSMN1; SMN2CYP2D6CYP2C19CYP1A2
SCHEMBL7077867 0.79 TSHR (0.47) TSHRSMN1; SMN2CYP2D6CYP2C19CYP1A2
SCHEMBL7003827 0.77 SMN1; SMN2 (0.49) SMN1; SMN2LMNAKDM4EPOLBTRPA1
SCHEMBL7004068 0.77 SMN1; SMN2 (0.62) TSHRSMN1; SMN2CYP2D6CYP2C19CYP1A2
SCHEMBL7003576 0.76 LMNA (0.48) TSHRSMN1; SMN2CYP2C19CYP1A2CYP3A4
SCHEMBL7077434 0.76 KDM4E (0.45) MAPK1KDM4EALDH1A1TP53
SCHEMBL7079144 0.76 SMN1; SMN2 (0.45) TSHRSMN1; SMN2CYP2D6CYP2C19CYP3A4

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 3213/4885SMN1; SMN2 861/4885CYP2D6 206/4885

“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.