SCHEMBL930246

SCHEMBL930246

Cc1ccc2c(c1)CCNN2C

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.44
ALDH1A1 P00352 4/20 0.42
PARP10 Q53GL7 2/20 0.42
PARP11 Q9NR21 1/20 0.42
SRD5A1 P18405 5/20 0.40
KDM4E B2RXH2 1/20 0.39
PARP1 P09874 1/20 0.39
NPSR1 Q6W5P4 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CDK4 P11802 1/20 0.35
CCND1 P24385 1/20 0.35
AADAT Q8N5Z0 1/20 0.34
TSHR P16473 1/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL929001 0.85 ALDH1A1 (0.42) NOTUMALDH1A1PARP10PARP11KDM4E
SCHEMBL7914325 0.81 NOTUM (0.39) NOTUMALDH1A1PARP10PARP11SRD5A1
SCHEMBL929632 0.80 HTR2C (0.47) NOTUMPARP10SRD5A1PARP1
SCHEMBL928886 0.80 NOTUM (0.45) NOTUMALDH1A1PARP10SRD5A1PARP1
SCHEMBL930241 0.80 PNMT (0.44) PARP10PARP11SRD5A1PARP1
SCHEMBL927901 0.77 HTR2C (0.48) NOTUMSRD5A1MEN1KMT2A
SCHEMBL929387 0.76 NOTUM (0.49) NOTUMALDH1A1PARP10SRD5A1PARP1
SCHEMBL930398 0.75 PNMT (0.53)
SCHEMBL928590 0.75 MEN1 (0.44) NOTUMALDH1A1KDM4ENPSR1CHRM2
SCHEMBL929679 0.74 PDE3B (0.41)

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
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
EP-2090576-A1 6-halo-pyrazolo[1,5-a]pyridines, a process for their preparation and their use as metabotropic glutamate receptor (mGluR) modulators Merz Pharma GmbH & Co.KGaA (DE) 2009-08-19 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 NOTUM 2035/4885ALDH1A1 2888/4885PARP10 2343/4885

“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.