SCHEMBL839353

SCHEMBL839353

Clc1ccc(-n2ncc3c(Cl)ncnc32)c(Cl)c1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TP53 P04637 10/20 0.48
LMNA P02545 7/20 0.47
PIP4K2A P48426 2/20 0.46
MAPT P10636 6/20 0.44
ALOX12 P18054 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
POLB P06746 1/20 0.42
RAB9A P51151 2/20 0.42
HPGD P15428 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
KDM4E B2RXH2 1/20 0.42
NPC1 O15118 1/20 0.42
ALDH1A1 P00352 1/20 0.42
THRB P10828 1/20 0.41

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
SCHEMBL839044 0.86 CYP17A1 (0.55) TP53LMNAMAPTPOLBRAB9A
SCHEMBL25343885 0.82 PIP4K2A (0.54) TP53LMNAPIP4K2AMAPT
SCHEMBL839210 0.82 GCK (0.47) TP53LMNAMAPTRAB9ASMN1; SMN2
SCHEMBL25344174 0.80 MAPT (0.58) TP53LMNAPIP4K2AMAPT
SCHEMBL11476904 0.78 RAB9A (0.63) TP53LMNAMAPTALOX12POLB
SCHEMBL25341544 0.78 CYP17A1 (0.45) TP53LMNAMAPTPOLBRAB9A
SCHEMBL30568414 0.77 CYP17A1 (0.53) TP53LMNAMAPTPOLBRAB9A
SCHEMBL839701 0.77 CYP17A1 (0.53) TP53LMNAMAPTPOLBRAB9A
SCHEMBL16363299 0.77 MAPT (0.66) TP53LMNAPIP4K2AMAPTRAB9A
SCHEMBL838829 0.77 P2RX7 (0.46) TP53LMNAMAPTNPSR1RAB9A

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
WO-2005047288-A1 PYRAZOLOPYRIMIDINES AS ANTI - HEPATITS C AGENTS ARROW THERAPEUTICS LIMITED (GB) 2005-05-26 WO claimed
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
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-2005047288-A1 PYRAZOLOPYRIMIDINES AS ANTI - HEPATITS C AGENTS ARROW THERAPEUTICS LIMITED (GB) 2005-05-26 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 3530/4885PIP4K2A 516/4885

“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.