SCHEMBL3498258

SCHEMBL3498258

NC(=O)c1nc2[nH]nc(-c3ccccn3)c2s1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 1/20 0.40
F2 P00734 2/20 0.39
F12 P00748 2/20 0.39
PLAU P00749 1/20 0.39
PIN1 Q13526 1/20 0.38
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
PIM1 P11309 1/20 0.37
KDM4E B2RXH2 3/20 0.37
GAA P10253 1/20 0.37
ADORA2A P29274 1/20 0.37

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
SCHEMBL3501102 0.81 CYP1A2 (0.43) KDM4EGAAIKBKBALDH1A1CDC7
SCHEMBL3498262 0.80 TGFBR1 (0.46) LRRK2PIM1KDM4EADORA2AADORA1
SCHEMBL3501713 0.78 ADORA2A (0.60) F2F12PLAUKDM4EADORA2A
SCHEMBL3501617 0.77 GRM2 (0.38) HDAC1HDAC2HDAC8HDAC6KMT2A
SCHEMBL13256291 0.72 ADORA2A (0.63) KDM4EGAAADORA2AADORA1KMT2A
SCHEMBL29019245 0.71 KDM4E (0.38) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5577976 0.70 CYP1A2 (0.36) F2F12ADORA2AADORA1IKBKB
SCHEMBL4752790 0.70 ILK (0.32)
SCHEMBL5578040 0.68 DYRK1A (0.32)
SCHEMBL5669674 0.67 TGFBR1 (0.50) HDAC3HDAC4HDAC1HDAC7HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100179190-A1 BICYCLIC PYRAZOLO PROTEIN KINASE MODULATORS SGX PHARMACEUTICALS, INC. (US) 2010-07-15 US disclosed
US-7473783-B2 Bicyclic pyrazolo protein kinase modulators SGX PHARMACEUTICALS, INC. (US) 2009-01-06 US disclosed
US-20050176786-A1 Bicyclic pyrazolo protein kinase modulators STRUCTURAL GENOMIX (US) 2005-08-11 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-20100179190-A1 BICYCLIC PYRAZOLO PROTEIN KINASE MODULATORS MAP3K20, MAP4K2, MAP4K3 LRRK2 457/4885F2 4581/4885F12 4724/4885
US-20050176786-A1 Bicyclic pyrazolo protein kinase modulators MAP3K20, MAP4K2, MAP4K3 LRRK2 457/4885F2 4581/4885F12 4724/4885

“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.