SCHEMBL3236885

SCHEMBL3236885

CCc1nc2c(c(=O)n(Cc3ccc(Cl)cc3)c(=O)n2CCCO)n1C

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.58
TRPC5 Q9UL62 5/20 0.52
MAPT P10636 2/20 0.52
TRPC4 Q9UBN4 2/20 0.52
KCNH2 Q12809 1/20 0.52
LMNA P02545 2/20 0.49
TRPC1 P48995 1/20 0.47
P2RX3 P56373 3/20 0.47
GAA P10253 1/20 0.46
HTT P42858 1/20 0.46
ADORA3 P0DMS8 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
RAB9A P51151 1/20 0.45
TSHR P16473 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
SCHEMBL3234639 0.91 MAPT (0.55) TP53MAPTLMNAGAAHTT
SCHEMBL3229938 0.89 MAPT (0.52) TP53MAPTLMNAGAAHTT
SCHEMBL3238173 0.89 MAPT (0.55) TP53MAPTLMNAADORA3SMN1; SMN2
SCHEMBL3229109 0.86 ADORA2A (0.59) MAPTLMNAHTTADORA3
SCHEMBL13940720 0.86 MAPT (0.51) TP53MAPTLMNAGAAHTT
SCHEMBL13940860 0.86 MAPT (0.49) TP53TRPC5MAPTTRPC4LMNA
SCHEMBL16028537 0.86 TRPC5 (0.63) TP53TRPC5MAPTTRPC4KCNH2
SCHEMBL3110981 0.86 MAPT (0.48) TP53MAPTLMNAGAAHTT
SCHEMBL3236349 0.85 MAPT (0.50) TP53MAPTLMNAGAAHTT
SCHEMBL3240004 0.85 MAPT (0.56) TP53MAPTLMNAGAAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090023704-A1 Novel Compounds 737 ASTRAZENECA AB (SE) 2009-01-22 US claimed
EP-2146996-A1 XANTHINE COMPOUNDS HAVING A POSITIVE ALLOSTERIC GABAB RECEPTOR MODULATOR EFFECT AstraZeneca AB (SE) 2010-01-27 EP disclosed
US-20090023704-A1 Novel Compounds 737 ASTRAZENECA AB (SE) 2009-01-22 US disclosed
US-20090023704-A1 Novel Compounds 737 ASTRAZENECA AB (SE) 2009-01-22 US disclosed
US-20090023704-A1 Novel Compounds 737 ASTRAZENECA AB (SE) 2009-01-22 US disclosed
WO-2008130314-A1 XANTHINE COMPOUNDS HAVING A POSITIVE ALLOSTERIC GABAB RECEPTOR MODULATOR EFFECT ASTRAZENECA AB (SE) 2008-10-30 WO disclosed
WO-2008130314-A1 XANTHINE COMPOUNDS HAVING A POSITIVE ALLOSTERIC GABAB RECEPTOR MODULATOR EFFECT ASTRAZENECA AB (SE) 2008-10-30 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-20090023704-A1 Novel Compounds 737 GRPR, GABRB1, GABBR1 TP53 4885/4885TRPC5 271/4885MAPT 2910/4885

“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.