SCHEMBL6071771

SCHEMBL6071771

NNc1cccc2[nH]cnc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.50
RET P07949 1/20 0.43
DRD4 P21917 3/20 0.39
DRD3 P35462 3/20 0.39
DRD2 P14416 2/20 0.39
BRD4 O60885 2/20 0.39
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38
DPP4 P27487 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
MEN1 O00255 1/20 0.36

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
Hydrochloric Acid SCHEMBL6071470 0.98 PARP1 (0.49) PARP1RETDRD4DRD3DRD2
SCHEMBL21137030 0.81 PARP1 (0.46) PARP1RETDRD4DRD3DRD2
SCHEMBL27888402 0.78 PARP1 (0.59) PARP1RETDRD4DRD3DRD2
SCHEMBL27660069 0.78 PARP1 (0.59) PARP1RETDRD4DRD3DRD2
SCHEMBL27662295 0.77 PARP1 (0.46) PARP1RETDRD4DRD3DRD2
SCHEMBL3667498 0.77 CDK2 (0.46) PARP1RETDRD4DRD3DRD2
SCHEMBL15421060 0.77 PARP1 (0.46) PARP1RETDRD4DRD3DRD2
SCHEMBL9828697 0.76 DRD4 (0.56) PARP1DRD4DRD3DRD2HPGD
SCHEMBL18426536 0.76 RET (0.49) PARP1RETDRD4DRD3DRD2
Hydrochloric Acid SCHEMBL28155445 0.76 PARP1 (0.58) PARP1RETDRD4DRD3DRD2

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-20060167020-A1 Pyrazolopyrimidines as kinase inhibitors SMITHKLINE BEECHAM CORPORATION 2006-07-27 US disclosed
WO-2004009597-A2 PYRAZOLOPYRIMIDINES AS PROTEIN KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2004-01-29 WO 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-20060167020-A1 Pyrazolopyrimidines as kinase inhibitors MAP3K12, MAP3K5, MAP3K2 PARP1 819/4885RET 185/4885DRD4 4424/4885

“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.