SCHEMBL928780

SCHEMBL928780

CC1c2nnc(-c3cccnc3)n2CCN1C(=O)c1cc2ncc(Cl)cn2n1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 5/20 0.44
TACR3 P29371 12/20 0.42
KCNH2 Q12809 4/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
CYP3A4 P08684 1/20 0.42
TACR2 P21452 4/20 0.42
TACR1 P25103 4/20 0.42
GRM5 P41594 2/20 0.42
CYP2D6 P10635 1/20 0.41
ERG P11308 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) P2RX7TACR3KCNH2CYP1A2CYP2C9
SCHEMBL929653 0.90 GRM5 (0.47) P2RX7TACR3KCNH2CYP1A2CYP2C9
SCHEMBL928665 0.90 GRM5 (0.44) P2RX7TACR3KCNH2CYP1A2CYP2C9
SCHEMBL3815625 0.87 TACR3 (0.44) P2RX7TACR3KCNH2CYP1A2CYP2C9
SCHEMBL931448 0.86 TACR3 (0.51) P2RX7TACR3KCNH2CYP1A2CYP2C9
SCHEMBL930170 0.86 P2RX7 (0.59) P2RX7TACR3KCNH2CYP1A2CYP2C9
SCHEMBL930520 0.86 TACR3 (0.45) P2RX7TACR3KCNH2TACR2TACR1
SCHEMBL928488 0.86 P2RX7 (0.46) P2RX7TACR3KCNH2CYP1A2CYP2C9
SCHEMBL928660 0.85 TACR3 (0.44) P2RX7TACR3KCNH2CYP1A2CYP2C9
SCHEMBL929937 0.85 TACR3 (0.51) TACR3KCNH2CYP1A2CYP2C9CYP2C19

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 4 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-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 486/4885KCNH2 361/4885

“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.