SCHEMBL928488

SCHEMBL928488

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

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 6/20 0.46
TACR3 P29371 11/20 0.44
TACR1 P25103 6/20 0.42
TACR2 P21452 6/20 0.42
KCNH2 Q12809 3/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
CYP3A4 P08684 1/20 0.41
GRM5 P41594 2/20 0.41
CYP2D6 P10635 1/20 0.40

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
SCHEMBL928617 0.91 TACR3 (0.44) P2RX7TACR3TACR1TACR2KCNH2
SCHEMBL930058 0.90 ALDH1A1 (0.45) P2RX7TACR3KCNH2CYP1A2CYP2C9
SCHEMBL930170 0.89 P2RX7 (0.59) P2RX7TACR3TACR1TACR2KCNH2
SCHEMBL3820836 0.87 P2RX7 (0.47) P2RX7TACR3TACR1TACR2KCNH2
SCHEMBL928665 0.87 GRM5 (0.44) P2RX7TACR3TACR1TACR2KCNH2
SCHEMBL3426679 0.87 P2RX7 (0.46) P2RX7TACR3GRM5
SCHEMBL928685 0.86 GRM5 (0.40) P2RX7TACR3GRM5
SCHEMBL928780 0.86 P2RX7 (0.44) P2RX7TACR3TACR1TACR2KCNH2
SCHEMBL930031 0.84 GRM5 (0.47) P2RX7TACR3TACR1TACR2KCNH2
SCHEMBL928660 0.82 TACR3 (0.44) P2RX7TACR3TACR1TACR2KCNH2

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 P2RX7 71/4885TACR3 486/4885TACR1 464/4885

“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.