SCHEMBL850577

SCHEMBL850577

[C-]#[N+]c1ccc(C)c(-n2ncc3c(Cl)ncnc32)c1

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TP53 P04637 14/20 0.50
LMNA P02545 10/20 0.49
MAPT P10636 6/20 0.45
POLB P06746 2/20 0.44
PIP4K2A P48426 1/20 0.43
RXFP1 Q9HBX9 1/20 0.42
RAB9A P51151 1/20 0.42

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
SCHEMBL850157 0.85 TP53 (0.45) TP53LMNAMAPTPOLBPIP4K2A
SCHEMBL839601 0.83 RAB9A (0.55) TP53LMNAMAPTPOLBPIP4K2A
SCHEMBL838540 0.81 TP53 (0.57) TP53LMNAMAPTPOLBPIP4K2A
SCHEMBL840215 0.78 TP53 (0.50) TP53LMNAMAPTPOLBPIP4K2A
SCHEMBL839657 0.78 SLC2A1 (0.54) TP53LMNAMAPTPOLBRAB9A
SCHEMBL838694 0.76 CYP17A1 (0.46) TP53LMNAMAPTPOLBRAB9A
SCHEMBL25342411 0.73 HTT (0.54) TP53LMNAMAPTPOLBPIP4K2A
SCHEMBL838498 0.73 RAB9A (0.46) TP53LMNAMAPTPIP4K2ARXFP1
SCHEMBL3424926 0.73 TP53 (0.54) TP53LMNAMAPTRXFP1RAB9A
SCHEMBL838437 0.71 TP53 (0.44) TP53LMNAMAPTPOLBPIP4K2A

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-8143263-B2 Therapeutic agents ASTRAZENECA AB (SE) 2012-03-27 US disclosed
US-20100093757-A1 THERAPEUTIC AGENTS 414 ASTRAZENECA AB (SE) 2010-04-15 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-20100093757-A1 THERAPEUTIC AGENTS 414 GCK, GCKR, GPR119 TP53 4297/4885LMNA 3530/4885MAPT 3944/4885

“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.