SCHEMBL5819907

SCHEMBL5819907

CCC(=O)N(C)c1cccc(-c2ccnc3c(C(=O)c4cccs4)cnn23)c1

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDKN1A P38936 1/20 0.61
TLR8 Q9NR97 1/20 0.47
KDM4E B2RXH2 2/20 0.47
GABRA1 P14867 1/20 0.47
GABRG2 P18507 1/20 0.47
GABRB3 P28472 1/20 0.47
MAPK1 P28482 1/20 0.47
GABRA2 P47869 1/20 0.47
GABRB2 P47870 1/20 0.47
AOX1 Q06278 1/20 0.47
PDE3A Q14432 1/20 0.47
BRAF P15056 10/20 0.44
MAP2K1 Q02750 1/20 0.42
CLK4 Q9HAZ1 1/20 0.42
DYRK1B Q9Y463 1/20 0.42
MAPK13 O15264 2/20 0.41
LIMK1 P53667 1/20 0.41
MARK2 Q7KZI7 1/20 0.41
PIM1 P11309 2/20 0.40
CDK1 P06493 1/20 0.40

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
Indiplon SCHEMBL3714581 0.91 CDKN1A (0.61) CDKN1ATLR8KDM4EGABRA1GABRG2
Indiplon SCHEMBL75094 0.91 CDKN1A (0.61) CDKN1ATLR8KDM4EGABRA1GABRG2
Indiplon SCHEMBL30292630 0.91 CDKN1A (0.61) CDKN1ATLR8KDM4EGABRA1GABRG2
Indiplon SCHEMBL4807177 0.90 CDKN1A (0.60) CDKN1ATLR8KDM4EGABRA1GABRG2
SCHEMBL5823549 0.89 CDKN1A (0.61) CDKN1ATLR8KDM4EGABRA1GABRG2
SCHEMBL3155505 0.89 CDKN1A (0.68) CDKN1ATLR8KDM4EGABRA1GABRG2
SCHEMBL5809393 0.88 CDKN1A (0.64) CDKN1ATLR8KDM4EGABRA1GABRG2
SCHEMBL1878126 0.88 CDKN1A (0.57) CDKN1ATLR8KDM4EGABRA1GABRG2
SCHEMBL3169773 0.88 CDKN1A (0.59) CDKN1ATLR8KDM4EGABRA1GABRG2
SCHEMBL6071510 0.86 CDKN1A (0.60) CDKN1ATLR8KDM4EGABRA1GABRG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006033795-A2 SUBSTITUTED PYRAZOLO [1, 5-A] PYRIMIDINES FOR INHIBITING ABNORMAL CELL GROWTH WYETH (US) 2006-03-30 WO claimed
US-20060063784-A1 Method of using substituted pyrazolo [1,5-a] pyrimidines WYETH 2006-03-23 US claimed
WO-2006033795-A2 SUBSTITUTED PYRAZOLO [1, 5-A] PYRIMIDINES FOR INHIBITING ABNORMAL CELL GROWTH WYETH (US) 2006-03-30 WO disclosed
US-20060063784-A1 Method of using substituted pyrazolo [1,5-a] pyrimidines WYETH 2006-03-23 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-20060063784-A1 Method of using substituted pyrazolo [1,5-a] pyrimidines TYMP, DPYD, TYMS CDKN1A 89/4885TLR8 4409/4885KDM4E 2705/4885

“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.