SCHEMBL3229938

SCHEMBL3229938

CCc1nc2c(c(=O)n(Cc3ccc(Cl)cc3)c(=O)n2CCCBr)n1C

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.52
LMNA P02545 3/20 0.49
TP53 P04637 1/20 0.48
TSHR P16473 3/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
RAB9A P51151 1/20 0.45
ALDH1A1 P00352 3/20 0.45
NPSR1 Q6W5P4 3/20 0.45
ADORA2A P29274 2/20 0.45
ADORA2B P29275 2/20 0.45
POLB P06746 2/20 0.45
ADORA1 P30542 1/20 0.45
MEN1 O00255 1/20 0.45
ALOX12 P18054 1/20 0.45
KMT2A Q03164 1/20 0.45
MAPK1 P28482 1/20 0.44
HTT P42858 2/20 0.44
HIF1A Q16665 1/20 0.44
GAA P10253 1/20 0.44

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) MAPTLMNATP53TSHRSMN1; SMN2
SCHEMBL3236885 0.89 TP53 (0.58) MAPTLMNATP53TSHRSMN1; SMN2
SCHEMBL3238173 0.89 MAPT (0.55) MAPTLMNATP53TSHRSMN1; SMN2
SCHEMBL13940720 0.86 MAPT (0.51) MAPTLMNATP53TSHRSMN1; SMN2
SCHEMBL3229109 0.86 ADORA2A (0.59) MAPTLMNAALDH1A1NPSR1ADORA2A
SCHEMBL13940860 0.86 MAPT (0.49) MAPTLMNATP53TSHRSMN1; SMN2
SCHEMBL3231757 0.86 MAPT (0.48) MAPTLMNATP53TSHRSMN1; SMN2
SCHEMBL3236349 0.85 MAPT (0.50) MAPTLMNATP53TSHRSMN1; SMN2
SCHEMBL3240004 0.85 MAPT (0.56) MAPTLMNATP53TSHRSMN1; SMN2
SCHEMBL3223266 0.84 MAPT (0.49) MAPTLMNATP53TSHRSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 MAPT 2910/4885LMNA 3908/4885TP53 4885/4885

“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.