SCHEMBL4490590

SCHEMBL4490590

Nc1nc(NCc2cccc(Cl)c2)nc(C[C@H]2CC[C@H](N)CC2)c1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 1/20 0.49
MAPT P10636 7/20 0.46
APP P05067 1/20 0.45
TDP1 Q9NUW8 2/20 0.45
KMT2A Q03164 2/20 0.44
ATM Q13315 1/20 0.44
BLM P54132 3/20 0.43
RECQL P46063 2/20 0.43
CDK5 Q00535 1/20 0.43
CDK5R1 Q15078 1/20 0.43
PKM P14618 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
CYP1A2 P05177 1/20 0.42
MAPK1 P28482 2/20 0.42
POLB P06746 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CCNT1 O60563 1/20 0.41
LMNA P02545 1/20 0.41
HPGD P15428 1/20 0.41
GSK3A P49840 1/20 0.41

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
SCHEMBL3816620 0.93 PRKCQ (0.58) PRKCQMAPTAPPTDP1KMT2A
SCHEMBL4482286 0.92 KMT2A (0.45) PRKCQMAPTAPPTDP1KMT2A
SCHEMBL4479093 0.90 PRKCQ (0.46) PRKCQMAPTTDP1KMT2AATM
SCHEMBL4478175 0.89 MAPT (0.51) PRKCQMAPTTDP1KMT2ABLM
SCHEMBL4490167 0.89 KMT2A (0.53) PRKCQMAPTAPPTDP1KMT2A
SCHEMBL4468391 0.89 MAPT (0.46) PRKCQMAPTAPPTDP1KMT2A
SCHEMBL4475566 0.88 MAPT (0.60) PRKCQMAPTTDP1KMT2ABLM
SCHEMBL4476078 0.87 LMNA (0.46) PRKCQMAPTTDP1KMT2ABLM
SCHEMBL4479865 0.87 PKM (0.43) PRKCQMAPTTDP1KMT2AATM
SCHEMBL4485111 0.86 MAPT (0.44) PRKCQMAPTTDP1KMT2ABLM

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-7601714-B2 Pyrimidine derivatives useful as inhibitors of PKC-theta BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-10-13 US disclosed
US-20080287410-A1 PYRIMIDINE DERIVATIVES USEFUL AS INHIBITORS OF PKC-THETA BARBOSA ANTONIO J M 2008-11-20 US disclosed
EP-1765791-A1 PYRIMIDINE DERIVATIVES USEFUL AS INHIBITORS OF PKC-THETA BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2007-03-28 EP disclosed
WO-2006014482-A1 PYRIMIDINE DERIVATIVES USEFUL AS INHIBITORS OF PKC-THETA BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2006-02-09 WO disclosed
US-20060025433-A1 Pyrimidine derivatives useful as inhibitors of PKC-theta BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2006-02-02 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-20080287410-A1 PYRIMIDINE DERIVATIVES USEFUL AS INHIBITORS OF PKC-THETA PRKCZ, PRKCQ, PRKCH PRKCQ 2/4885MAPT 3483/4885APP 1211/4885
US-20060025433-A1 Pyrimidine derivatives useful as inhibitors of PKC-theta PRKCZ, PRKCQ, PRKCH PRKCQ 2/4885MAPT 3483/4885APP 1211/4885

“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.