SCHEMBL4300804

SCHEMBL4300804

Cc1nc2c(N)nnc-2cn1-c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 1/20 0.39
CRBN Q96SW2 1/20 0.39
GRM5 P41594 1/20 0.37
ADORA1 P30542 4/20 0.37
ADORA2A P29274 3/20 0.36
ADORA2B P29275 1/20 0.36
PI4KA P42356 1/20 0.36
PI4K2B Q8TCG2 1/20 0.36
PI4K2A Q9BTU6 1/20 0.36
PI4KB Q9UBF8 1/20 0.36
EGFR P00533 1/20 0.35
CDK1 P06493 1/20 0.35
SRC P12931 1/20 0.35
ATM Q13315 2/20 0.34
ATR Q13535 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
SMARCA2 P51531 1/20 0.34
SMARCA4 P51532 1/20 0.34
PBRM1 Q86U86 1/20 0.34

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
SCHEMBL5366242 0.74 DDB1 (0.44) DDB1CRBNGRM5ADORA1ADORA2A
SCHEMBL14007394 0.73 SMN1; SMN2 (0.48) DDB1CRBNGRM5MEN1KMT2A
SCHEMBL12247671 0.70 GRM5 (0.49) DDB1CRBNGRM5ADORA1ADORA2A
SCHEMBL3824076 0.68 NPC1 (0.44) DDB1CRBNGRM5ADORA1ADORA2A
SCHEMBL2378788 0.67 GRM5 (0.43) DDB1CRBNGRM5ADORA1ALDH1A1
SCHEMBL27997348 0.67 GRM5 (0.43) DDB1CRBNGRM5ALDH1A1KDM4E
SCHEMBL11856799 0.67 GRM5 (0.43) DDB1CRBNGRM5ADORA1MEN1
SCHEMBL5377724 0.65 GRM5 (0.41) DDB1CRBNGRM5MEN1KMT2A
SCHEMBL21668017 0.65 GRM5 (0.41) DDB1CRBNGRM5ALDH1A1KDM4E
SCHEMBL5374700 0.65 GRM5 (0.41) DDB1CRBNGRM5EGFRSRC

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-20090156398-A1 Fungicidal 5-alkyl-6-phenylpyrazolopyrimidin-7-ylamines BASF AKTIENGESELLSCHAFT (DE) 2009-06-18 US disclosed
US-20080221130-A1 Fungicidal 5-Methyl-6-Phenylpyrazolopyrimidin-7-Ylamines BASF AKTIENGESELLSCHAFT (DE) 2008-09-11 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 (2 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-20080221130-A1 Fungicidal 5-Methyl-6-Phenylpyrazolopyrimidin-7-Ylamines CYP3A7, CYP51A1, PNMT DDB1 2551/4885CRBN 1255/4885GRM5 663/4885
US-20090156398-A1 Fungicidal 5-alkyl-6-phenylpyrazolopyrimidin-7-ylamines CYP3A7, CYP51A1, ERG28 DDB1 3393/4885CRBN 1062/4885GRM5 994/4885

“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.