SCHEMBL12467159

SCHEMBL12467159

O=C(O)c1cc2ncc(I)cn2n1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.60
APOBEC3A P31941 3/20 0.53
APOBEC3G Q9HC16 2/20 0.53
ALDH1A1 P00352 6/20 0.43
TDP1 Q9NUW8 5/20 0.43
GAA P10253 2/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 4/20 0.41
ESR2 Q92731 3/20 0.41
TSHR P16473 1/20 0.41
POLB P06746 5/20 0.40
RAB9A P51151 3/20 0.40
HSD17B10 Q99714 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
RXFP1 Q9HBX9 1/20 0.40
RECQL P46063 1/20 0.39
NR4A1 P22736 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
LMNA P02545 3/20 0.39
MEN1 O00255 1/20 0.38

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
SCHEMBL25941813 0.81 KDM4E (0.61) KDM4EAPOBEC3AAPOBEC3GALDH1A1TDP1
SCHEMBL930189 0.80 KDM4E (0.60) KDM4EAPOBEC3AAPOBEC3GALDH1A1TDP1
SCHEMBL8214427 0.80 KDM4E (0.60) KDM4EAPOBEC3AAPOBEC3GALDH1A1TDP1
SCHEMBL14307941 0.80 KDM4E (0.60) KDM4EAPOBEC3AAPOBEC3GALDH1A1TDP1
SCHEMBL1011158 0.80 TDP1 (0.63) KDM4EAPOBEC3AAPOBEC3GALDH1A1TDP1
SCHEMBL12942831 0.78 ESR2 (0.43) KDM4EALDH1A1TDP1GAAHPGD
SCHEMBL23534383 0.78 KDM4E (0.57) KDM4EAPOBEC3AAPOBEC3GALDH1A1TDP1
SCHEMBL23728468 0.78 LMNA (0.66) KDM4EAPOBEC3AAPOBEC3GALDH1A1TDP1
SCHEMBL29019489 0.78 KDM4E (0.57) KDM4EAPOBEC3AAPOBEC3GALDH1A1TDP1
SCHEMBL23728559 0.76 KDM4E (0.56) KDM4EAPOBEC3AAPOBEC3GALDH1A1TDP1

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
US-7985753-B2 Substituted pyrazolo[1,5-A]pyrimidines as metabotropic glutamate receptor modulators MERZ PHARMA GMBH & CO. KGAA (DE) 2011-07-26 US disclosed
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
US-20080039458-A1 Substituted pyrazolopyrimidines, a process for their preparation and their use as medicine MERZ PHARMA GMBH & CO. KGAA (DE) 2008-02-14 US disclosed
US-20080032998-A1 Pyrazolopyrimidines, a process for their preparation and their use as medicine MERZ PHARMA GMBH & CO. KGAA (DE) 2008-02-07 US 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 (3 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 KDM4E 1667/4885APOBEC3A 4079/4885APOBEC3G 3700/4885
US-20080039458-A1 Substituted pyrazolopyrimidines, a process for their preparation and their use as medicine GRM5, GRM1, GRM3 KDM4E 1357/4885APOBEC3A 4496/4885APOBEC3G 4444/4885
US-20080032998-A1 Pyrazolopyrimidines, a process for their preparation and their use as medicine GRM5, GRM1, GRIK5 KDM4E 1401/4885APOBEC3A 4259/4885APOBEC3G 4032/4885

“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.