SCHEMBL6274897

SCHEMBL6274897

Cc1ccc(C(=O)c2c[nH]nc2N)nc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.37
NOS2 P35228 1/20 0.37
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HSD17B10 Q99714 1/20 0.35
XIAP P98170 1/20 0.35
BIRC2 Q13490 1/20 0.35
MAPT P10636 2/20 0.35
RAB9A P51151 2/20 0.35
CCNE2 O96020 1/20 0.34
CCNE1 P24864 1/20 0.34
CDK2 P24941 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
BACE1 P56817 4/20 0.33
ADRA2A P08913 2/20 0.32
ADRA2B P18089 2/20 0.32
ADRA2C P18825 2/20 0.32
PLAU P00749 1/20 0.32
SYK P43405 1/20 0.32
CCR1 P32246 1/20 0.32

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
SCHEMBL7369952 0.78 ALDH1A1 (0.48) ALDH1A1MAPTRAB9ACCNE2CCNE1
SCHEMBL6279299 0.78 P2RX7 (0.47) NOS3NOS2KDM4EALDH1A1RAB9A
SCHEMBL5793588 0.76 KMT2A (0.49) KDM4EALDH1A1MAPTRAB9ACDK2
SCHEMBL6372981 0.75 KMT2A (0.48) NOS3NOS2KDM4EALDH1A1HSD17B10
SCHEMBL13434954 0.74 MAPT (0.47) NOS3NOS2KDM4EALDH1A1HSD17B10
SCHEMBL9832118 0.71 POLB (0.51) ALDH1A1MAPTCCNE2CCNE1CDK2
SCHEMBL22426391 0.69 RAB9A (0.49) KDM4EALDH1A1HSD17B10MAPTRAB9A
SCHEMBL5821360 0.69 ALDH1A1 (0.49) KDM4EALDH1A1HSD17B10MAPTRAB9A
SCHEMBL21449253 0.69 GPR84 (0.59) ALDH1A1MAPTRAB9ANPC1TP53
SCHEMBL3982930 0.68 MAPT (0.52) ALDH1A1HSD17B10MAPTCCNE2CCNE1

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
WO-2005108401-A1 2-PYRIDINYL[7-(SUBSTITUTED-PYRIDIN-4-YL) PYRAZOLO[1,5-A]PYRIMIDIN-3-YL]METHANONES DOV PHARMACEUTICAL, INC. (US) 2005-11-17 WO disclosed
US-20050245517-A1 2-pyridinyl[7-(substituted-pyridin-4-yl) pyrazolo[1,5-a]pyrimidin-3-yl]methanones SKOLNICK PHIL 2005-11-03 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-20050245517-A1 2-pyridinyl[7-(substituted-pyridin-4-yl) pyrazolo[1,5-a]pyrimidin-3-yl]methanones HTR1A, HTR2B, HTR3B NOS3 2602/4885NOS2 2629/4885KDM4E 3614/4885

“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.