SCHEMBL4124617

SCHEMBL4124617

CSc1nc(-c2ccc(C)cc2C)c2cc(C)[nH]c2n1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 8/20 0.54
MAPT P10636 2/20 0.36
LMNA P02545 1/20 0.34
HPGD P15428 1/20 0.34
HTT P42858 1/20 0.34
KIT P10721 2/20 0.33
FGFR1 P11362 2/20 0.32
FGFR2 P21802 2/20 0.32
ADORA2A P29274 1/20 0.32
ADORA1 P30542 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
KMT2A Q03164 1/20 0.32
GAA P10253 1/20 0.31
FGFR3 P22607 1/20 0.31
NPBWR1 P48145 1/20 0.31

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
SCHEMBL4090592 0.78 HSP90AB1 (0.54) HSP90AB1MAPTLMNAHPGDHTT
SCHEMBL2570481 0.77 HSP90AB1 (0.76) HSP90AB1MAPTHTTCYP1A2CYP2C9
SCHEMBL4101734 0.76 HSP90AB1 (0.52) HSP90AB1MAPTLMNAHPGDHTT
SCHEMBL14567311 0.76 HSP90AB1 (0.52) HSP90AB1MAPTLMNAHPGDHTT
SCHEMBL4083972 0.74 HSP90AB1 (0.61) HSP90AB1MAPTLMNAHPGDHTT
SCHEMBL2565357 0.73 HSP90AB1 (0.69) HSP90AB1MAPTHTTKMT2A
SCHEMBL2563188 0.70 HSP90AB1 (1.00) HSP90AB1MAPTHTTKMT2A
SCHEMBL2563404 0.70 HSP90AB1 (1.00) HSP90AB1
SCHEMBL31296689 0.70 HSP90AB1 (1.00) HSP90AB1
SCHEMBL8961783 0.70 HSP90AA1 (0.50) HSP90AB1MAPTLMNAHPGDHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090163490-A1 Pyrrolopyrimidine Derivatives Used As HSP90 Inhibitors VERNALIS (R&D) LTD. (GB) 2009-06-25 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-20090163490-A1 Pyrrolopyrimidine Derivatives Used As HSP90 Inhibitors HSP90AA1, HSP90AB1, RAF1 HSP90AB1 2/4885MAPT 4526/4885LMNA 3907/4885

“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.