SCHEMBL5268841

SCHEMBL5268841

COC(=O)c1cc(-c2ccncn2)n(-c2ccc(OC)nc2)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.39
PTGS2 P35354 1/20 0.39
GABRA5 P31644 1/20 0.39
RPA1 P27694 1/20 0.35
DYRK1A Q13627 1/20 0.35
SMO Q99835 1/20 0.35
FYN P06241 2/20 0.35
FAAH O00519 1/20 0.35
MGLL Q99685 1/20 0.35
P2RX7 Q99572 1/20 0.35
MALT1 Q9UDY8 1/20 0.34
KDR P35968 1/20 0.34
ADORA2B P29275 1/20 0.34
IRAK4 Q9NWZ3 1/20 0.34
ABCG2 Q9UNQ0 1/20 0.33
NAMPT P43490 1/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 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
SCHEMBL5272477 0.90 RPA1 (0.46) SMN1; SMN2RPA1MEN1KMT2A
SCHEMBL5520073 0.87 CNR1 (0.37) GABRA5RPA1SMOMALT1IRAK4
SCHEMBL5265460 0.84 JMJD6 (0.44) SMN1; SMN2PTGS2RPA1SMOFYN
SCHEMBL5271456 0.83 MGLL (0.45) PTGS2MGLLMALT1NAMPTMEN1
SCHEMBL2919388 0.82 SMN1; SMN2 (0.39) SMN1; SMN2PTGS2RPA1SMOFAAH
SCHEMBL5269299 0.82 DYRK1A (0.54) SMN1; SMN2PTGS2RPA1DYRK1ASMO
SCHEMBL4933639 0.77 FYN (0.48) SMN1; SMN2PTGS2RPA1FYNFAAH
SCHEMBL2914548 0.76 KMT2A (0.46) SMN1; SMN2FAAHMEN1NPC1RAB9A
SCHEMBL2916960 0.76 CA9 (0.48) FAAHMEN1NPC1RAB9AKMT2A
SCHEMBL2918250 0.76 RPA1 (0.52) RPA1MEN1KMT2A

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9284298-B2 Pyrazolyl-pyrimidine derivatives as kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2016-03-15 US claimed
US-20140051708-A1 PYRAZOLYL-PYRIMIDINE DERIVATIVES AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2014-02-20 US claimed
US-9284298-B2 Pyrazolyl-pyrimidine derivatives as kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2016-03-15 US disclosed
US-20140051708-A1 PYRAZOLYL-PYRIMIDINE DERIVATIVES AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2014-02-20 US disclosed
US-20070254881-A1 Pyrazole Derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-11-01 US disclosed
US-20070219210-A1 Amidopyrazole Derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-09-20 US disclosed
EP-1785418-A1 PYRAZOLE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-05-16 EP disclosed
EP-1698626-A1 AMIDOPYRAZOLE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-09-06 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 (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-20070254881-A1 Pyrazole Derivative PTGER1, PTGS1, PTGER2 SMN1; SMN2 3490/4885PTGS2 4/4885GABRA5 2076/4885
US-20070219210-A1 Amidopyrazole Derivative PTGER1, PTGS1, PTGER2 SMN1; SMN2 4048/4885PTGS2 4/4885GABRA5 1953/4885
US-20140051708-A1 PYRAZOLYL-PYRIMIDINE DERIVATIVES AS KINASE INHIBITORS MAP3K1, MAP3K20, MAP3K6 SMN1; SMN2 3670/4885PTGS2 1017/4885GABRA5 3452/4885

“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.