SCHEMBL3228294

SCHEMBL3228294

CCc1nc2[nH]c(=O)n(Cc3ccc(Cl)cc3)c(=O)c2n1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.46
RAB9A P51151 1/20 0.46
APOBEC3G Q9HC16 1/20 0.46
MAPT P10636 3/20 0.45
BRD4 O60885 1/20 0.45
BRD2 P25440 1/20 0.45
BRD3 Q15059 1/20 0.45
BRDT Q58F21 1/20 0.45
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
BRAF P15056 1/20 0.44
ALDH1A1 P00352 5/20 0.44
TSHR P16473 3/20 0.44
HPGD P15428 1/20 0.44
MAPK1 P28482 1/20 0.44
TP53 P04637 4/20 0.43
XBP1 P17861 1/20 0.43
GPR18 Q14330 1/20 0.43
POLB P06746 1/20 0.43
LMNA P02545 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
SCHEMBL3235516 0.89 SMN1; SMN2 (0.49) MAPTKMT2AALDH1A1TSHRHPGD
SCHEMBL3236930 0.81 KMT2A (0.42) BRD4BRD2BRD3BRDTMEN1
SCHEMBL3234639 0.78 MAPT (0.55) RAB9AMAPTMEN1KMT2AALDH1A1
SCHEMBL7430972 0.77 KDM4E (0.53) RAB9AMAPTMEN1KMT2ABRAF
SCHEMBL3229109 0.76 ADORA2A (0.59) MAPTMEN1KMT2AALDH1A1HPGD
SCHEMBL16028369 0.76 GPR18 (0.55) ATMRAB9AAPOBEC3GMAPTMEN1
SCHEMBL3238173 0.76 MAPT (0.55) RAB9AMAPTMEN1KMT2AALDH1A1
SCHEMBL13940720 0.74 MAPT (0.51) RAB9AMAPTMEN1KMT2AALDH1A1
SCHEMBL3236349 0.73 MAPT (0.50) RAB9AMAPTMEN1KMT2AALDH1A1
SCHEMBL3242836 0.72 ADORA2A (0.51) RAB9AMAPTMEN1KMT2AALDH1A1

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 ATM 3292/4885RAB9A 579/4885APOBEC3G 4743/4885

“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.