SCHEMBL930058

SCHEMBL930058

CC1c2nnc(-c3ccncn3)n2CCN1C(=O)c1cc2ncc(Br)cn2n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
TDP1 Q9NUW8 2/20 0.45
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.45
TACR3 P29371 5/20 0.44
ESR2 Q92731 4/20 0.43
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43
P2RX7 Q99572 5/20 0.42
GRM5 P41594 4/20 0.42
KCNH2 Q12809 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
ESR1 P03372 3/20 0.41
POLB P06746 2/20 0.41
CTDSP1 Q9GZU7 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KMT2A Q03164 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
SCHEMBL928807 0.91 ALDH1A1 (0.48) ALDH1A1TDP1GAAMAPTTACR3
SCHEMBL928488 0.90 P2RX7 (0.46) TACR3P2RX7GRM5KCNH2CYP1A2
SCHEMBL928120 0.89 TACR3 (0.57) ALDH1A1TDP1GAAMAPTTACR3
SCHEMBL3820202 0.87 TACR3 (0.45) TACR3P2RX7KCNH2CYP1A2CYP3A4
SCHEMBL930132 0.87 ALDH1A1 (0.48) ALDH1A1TDP1GAAMAPTTACR3
SCHEMBL3426679 0.87 P2RX7 (0.46) ALDH1A1TDP1GAAMAPTTACR3
SCHEMBL929653 0.86 GRM5 (0.47) ALDH1A1TDP1GAAMAPTTACR3
SCHEMBL928642 0.86 ALDH1A1 (0.46) ALDH1A1TDP1GAAMAPTESR2
SCHEMBL929359 0.84 ALDH1A1 (0.53) ALDH1A1TDP1GAAMAPTESR2
SCHEMBL931328 0.83 ALDH1A1 (0.54) ALDH1A1TDP1GAAMAPTESR2

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-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
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.