SCHEMBL838540

SCHEMBL838540

Cc1ccc(F)cc1-n1ncc2c(Cl)ncnc21

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TP53 P04637 13/20 0.57
LMNA P02545 9/20 0.57
POLB P06746 2/20 0.57
MAPT P10636 5/20 0.47
CYP17A1 P05093 1/20 0.47
CYP1A2 P05177 1/20 0.47
HTT P42858 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
PIP4K2A P48426 1/20 0.45
SLC2A1 P11166 1/20 0.45
SLC2A2 P11168 1/20 0.45
SLC2A3 P11169 1/20 0.45

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
SCHEMBL25342411 0.90 HTT (0.54) TP53LMNAPOLBMAPTCYP17A1
SCHEMBL839601 0.86 RAB9A (0.55) TP53LMNAPOLBMAPTHTT
SCHEMBL25343463 0.84 TP53 (0.44) TP53LMNAPOLBMAPTCYP17A1
SCHEMBL839701 0.84 CYP17A1 (0.53) TP53LMNAPOLBMAPTCYP17A1
SCHEMBL839044 0.84 CYP17A1 (0.55) TP53LMNAPOLBMAPTCYP17A1
SCHEMBL30568414 0.84 CYP17A1 (0.53) TP53LMNAPOLBMAPTCYP17A1
SCHEMBL25343909 0.82 CYP17A1 (0.42) TP53LMNAPOLBMAPTCYP17A1
SCHEMBL25341544 0.82 CYP17A1 (0.45) TP53LMNAPOLBMAPTCYP17A1
SCHEMBL30568436 0.82 CYP17A1 (0.42) TP53LMNAPOLBMAPTCYP17A1
SCHEMBL850577 0.81 TP53 (0.50) TP53LMNAPOLBMAPTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8143263-B2 Therapeutic agents ASTRAZENECA AB (SE) 2012-03-27 US disclosed
US-8143263-B2 Therapeutic agents ASTRAZENECA AB (SE) 2012-03-27 US disclosed
US-8143263-B2 Therapeutic agents ASTRAZENECA AB (SE) 2012-03-27 US disclosed
EP-2324028-A2 THERAPEUTIC AGENTS 414 AstraZeneca AB (SE) 2011-05-25 EP disclosed
US-20100093757-A1 THERAPEUTIC AGENTS 414 ASTRAZENECA AB (SE) 2010-04-15 US disclosed
US-20100093757-A1 THERAPEUTIC AGENTS 414 ASTRAZENECA AB (SE) 2010-04-15 US disclosed
US-20100093757-A1 THERAPEUTIC AGENTS 414 ASTRAZENECA AB (SE) 2010-04-15 US disclosed
WO-2010015849-A2 THERAPEUTIC AGENTS 414 ASTRAZENECA AB (SE) 2010-02-11 WO disclosed
WO-2010015849-A2 THERAPEUTIC AGENTS 414 ASTRAZENECA AB (SE) 2010-02-11 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-20100093757-A1 THERAPEUTIC AGENTS 414 GCK, GCKR, GPR119 TP53 4297/4885LMNA 3530/4885POLB 4390/4885

“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.