SCHEMBL929638

SCHEMBL929638

O=C(NC1CC1)c1ccc2n1CCNC2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 4/20 0.40
RAB9A P51151 3/20 0.40
NPC1 O15118 2/20 0.40
KDM4E B2RXH2 2/20 0.38
HTT P42858 2/20 0.38
MAPT P10636 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
PDE4B Q07343 1/20 0.33
HPGDS O60760 1/20 0.33
BMPR1B O00238 1/20 0.33
BMPR1A P36894 1/20 0.33
TGFBR1 P36897 1/20 0.33
ACVRL1 P37023 1/20 0.33
ACVR1 Q04771 1/20 0.33
TSHR P16473 1/20 0.33
CREBBP Q92793 1/20 0.33

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
SCHEMBL930255 0.81 HTR2A (0.36) HTR2AHTR2CMAPK8
SCHEMBL928777 0.78 OPRD1 (0.42) RAB9AKDM4EKMT2ASMN1; SMN2HTR2A
SCHEMBL928283 0.78 CHRNA10 (0.36) KDM4EKMT2ASMN1; SMN2HSD17B10GAA
SCHEMBL928282 0.77 CHRM3 (0.38) RAB9ANPC1MAPTHTR2AHTR2C
SCHEMBL24071893 0.77 KMT2A (0.52) RAB9ANPC1MEN1KMT2A
SCHEMBL1937282 0.75 HTR2A (0.39) HTR2AHTR2CTGFBR1
SCHEMBL8031760 0.74 KDM4E (0.43) SMYD3RAB9ANPC1KDM4EHTT
SCHEMBL928147 0.72 RAB9A (0.41) SMYD3RAB9ANPC1KDM4EHTT
SCHEMBL14525196 0.68 TSHR (0.37) HTR2AHTR2CTSHR
SCHEMBL31165632 0.68 GRM1 (0.32) HTR2AHTR2C

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
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-2009095253-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) 2009-08-06 WO 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 SMYD3 3112/4885RAB9A 2465/4885NPC1 1976/4885

“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.