SCHEMBL929423

SCHEMBL929423

CC1c2nnc(-c3ccsc3)n2CCN1C(=O)c1cc2ncc(Br)cn2n1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
TDP1 Q9NUW8 2/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
GRM5 P41594 7/20 0.45
ESR2 Q92731 4/20 0.44
HPGD P15428 1/20 0.44
TSHR P16473 1/20 0.44
TACR3 P29371 7/20 0.42
CYP1A2 P05177 4/20 0.42
CYP3A4 P08684 4/20 0.42
CYP2C9 P11712 4/20 0.42
CYP2C19 P33261 4/20 0.42
KCNH2 Q12809 4/20 0.42
ESR1 P03372 3/20 0.42
POLB P06746 2/20 0.42
CTDSP1 Q9GZU7 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CYP2D6 P10635 2/20 0.42
TACR2 P21452 2/20 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
SCHEMBL930596 0.90 GRM5 (0.43) GRM5TACR3CYP1A2CYP3A4CYP2C9
SCHEMBL928807 0.90 ALDH1A1 (0.48) ALDH1A1TDP1GAAMAPTGRM5
SCHEMBL929493 0.86 TACR3 (0.51) GRM5TACR3CYP1A2CYP3A4CYP2C9
SCHEMBL3811664 0.86 TACR3 (0.43) TACR3CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL930132 0.86 ALDH1A1 (0.48) ALDH1A1TDP1GAAMAPTGRM5
SCHEMBL928748 0.85 ALDH1A1 (0.46) ALDH1A1TDP1GAAMAPTGRM5
SCHEMBL929858 0.85 ESR2 (0.46) ALDH1A1TDP1GAAMAPTGRM5
SCHEMBL929437 0.85 TACR3 (0.51) ALDH1A1TDP1GAAMAPTGRM5
SCHEMBL929653 0.85 GRM5 (0.47) ALDH1A1TDP1GAAMAPTGRM5
SCHEMBL929359 0.85 ALDH1A1 (0.53) ALDH1A1TDP1GAAMAPTGRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2085398-A1 Pyrazolopyrimidines, a process for their preparation and their use as medicine Merz Pharma GmbH & Co. KGaA (DE) 2009-08-05 EP claimed
US-20110003820-A1 PYRAZOLOPYRIMIDINES, A PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICINE MERZ PHARMA GMBH & CO. KGAA (DE) 2011-01-06 US disclosed
EP-2247590-A1 PYRAZOLOPYRIMIDINES, A PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICINE Merz Pharma GmbH & Co. KGaA (DE) 2010-11-10 EP disclosed
WO-2009095254-A1 PYRAZOLOPYRIMIDINES, A PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICINE MERZ PHARMA GMBH & CO. KGAA (DE) 2009-08-06 WO disclosed
EP-2085398-A1 Pyrazolopyrimidines, a process for their preparation and their use as medicine Merz Pharma GmbH & Co. KGaA (DE) 2009-08-05 EP 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-20110003820-A1 PYRAZOLOPYRIMIDINES, A PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICINE GRM5, GRIK5, GRK5 ALDH1A1 2888/4885TDP1 1875/4885GAA 3740/4885

“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.