SCHEMBL9896310

SCHEMBL9896310

Cc1nc(Cl)c2[nH]c(C)c(Br)c2n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 7/20 0.38
NPY5R Q15761 1/20 0.34
CSNK2A2 P19784 5/20 0.32
CSNK2B P67870 5/20 0.32
MAPT P10636 2/20 0.32
SGK1 O00141 1/20 0.32
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
GMNN O75496 1/20 0.32
LMNA P02545 1/20 0.32
CYP3A4 P08684 1/20 0.32
NFKB1 P19838 1/20 0.32
CCNA2 P20248 1/20 0.32
CDK2 P24941 1/20 0.32
MAPK1 P28482 1/20 0.32
THPO P40225 1/20 0.32
MTOR P42345 1/20 0.32
RAB9A P51151 1/20 0.32
BLM P54132 1/20 0.32
CCNA1 P78396 1/20 0.32

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
SCHEMBL19563503 0.80 PDK2 (0.35) NPY5RMAPTPDK2PDK4
SCHEMBL17039464 0.78 CSNK2A1 (0.44) CSNK2A1PDK2PDK4
SCHEMBL31484426 0.69 TDP1 (0.35) LMNAKMT2APDK2PDK4
SCHEMBL6826337 0.66 KDM4E (0.50) MAPTMEN1NPC1LMNACYP3A4
SCHEMBL19863234 0.64 CSNK2A1 (0.37) CSNK2A1CSNK2A2CSNK2BMAPTMEN1
SCHEMBL15055302 0.63 LMNA (0.37) LMNAPDK2PDK4
SCHEMBL31718366 0.63 LMNA (0.37) LMNAPDK2PDK4
SCHEMBL20039914 0.63 KDR (0.32) PDK2
SCHEMBL31219145 0.62 KDM4E (0.39) MAPTMEN1LMNACCNA2CDK2
SCHEMBL31484438 0.61 KMT2A (0.44) NPY5RLMNAKMT2A

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-9376442-B2 Methylpyrrolopyrimidinecarboxamides TAKEDA GMBH (DE) 2016-06-28 US disclosed
US-20150073001-A1 METHYLPYRROLOPYRIMIDINECARBOXAMIDES ASTRAZENECA AB (SE) 2015-03-12 US disclosed
US-8927557-B2 Methylpyrrolopyrimidinecarboxamides TAKEDA GMBH (DE) 2015-01-06 US disclosed
EP-2470536-B1 Methylpyrrolopyrimidinecarboxamides TAKEDA GMBH (DE) 2014-11-12 EP disclosed
CN-102574861-A Methylpyrrolopyrimidinecarboxamides NYCOMED GMBH 2012-07-11 CN disclosed
US-20120149721-A1 METHYLPYRROLOPYRIMIDINECARBOXAMIDES NYCOMED GMBH (DE) 2012-06-14 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 (2 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-20120149721-A1 METHYLPYRROLOPYRIMIDINECARBOXAMIDES PDE5A, PDE12, PDE4A CSNK2A1 2169/4885NPY5R 328/4885CSNK2A2 1928/4885
US-20150073001-A1 METHYLPYRROLOPYRIMIDINECARBOXAMIDES PDE12, PDE5A, PDE4A CSNK2A1 3128/4885NPY5R 965/4885CSNK2A2 2950/4885

“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.