SCHEMBL13256178

SCHEMBL13256178

O=C(Nc1nc2[nH]nc(-c3cccc(C(F)(F)F)c3)c2s1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.50
MAPK14 Q16539 1/20 0.50
MAPK1 P28482 2/20 0.48
KCNK3 O14649 1/20 0.47
ALDH1A1 P00352 3/20 0.47
KDM4E B2RXH2 4/20 0.46
LMNA P02545 1/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
HTT P42858 1/20 0.46
ATM Q13315 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
ADORA3 P0DMS8 1/20 0.46
ADCY1 Q08828 1/20 0.45
RXFP1 Q9HBX9 2/20 0.45
KMT2A Q03164 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
POLB P06746 1/20 0.44
KDR P35968 1/20 0.44
HPGD P15428 1/20 0.43

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
SCHEMBL3501254 0.85 ADORA1 (0.52) MAPTMAPK14KCNK3ALDH1A1KDM4E
SCHEMBL13256306 0.84 ADORA3 (0.48) ALDH1A1NPC1RAB9AADORA3KMT2A
SCHEMBL13256183 0.84 MAPK14 (0.54) MAPTMAPK14MAPK1ALDH1A1KDM4E
SCHEMBL13256175 0.80 ADORA1 (0.47) MAPTMAPK1ALDH1A1LMNANPC1
SCHEMBL13256281 0.80 ADORA3 (0.48) MAPTALDH1A1KDM4ELMNANPC1
SCHEMBL13256172 0.80 SCD (0.57) MAPTMAPK14KCNK3ALDH1A1KDM4E
SCHEMBL13256159 0.79 KDM4E (0.53) MAPTALDH1A1KDM4ELMNAHTT
SCHEMBL13256284 0.79 F2 (0.54) ALDH1A1KDM4ELMNANPC1RAB9A
SCHEMBL3500537 0.79 PARP1 (0.54) ALDH1A1KDM4ELMNANPC1RAB9A
SCHEMBL13256173 0.78 PTGDR2 (0.61) MAPTALDH1A1KDM4ELMNANPC1

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
US-20100179190-A1 BICYCLIC PYRAZOLO PROTEIN KINASE MODULATORS SGX PHARMACEUTICALS, INC. (US) 2010-07-15 US disclosed
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-7473783-B2 Bicyclic pyrazolo protein kinase modulators SGX PHARMACEUTICALS, INC. (US) 2009-01-06 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-20100179190-A1 BICYCLIC PYRAZOLO PROTEIN KINASE MODULATORS MAP3K20, MAP4K2, MAP4K3 MAPT 2003/4885MAPK14 90/4885MAPK1 158/4885

“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.