SCHEMBL4479339

SCHEMBL4479339

Nc1nc(NCc2ccc(F)c(F)c2)nc(C[C@H]2CC[C@H](N)CC2)c1[N+](=O)[O-]

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.42
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
PKM P14618 2/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
CCNT1 O60563 1/20 0.39
POLB P06746 1/20 0.38
MAPK1 P28482 1/20 0.37
LMNA P02545 1/20 0.37
HPGD P15428 1/20 0.37
HTT P42858 1/20 0.36
GSK3A P49840 1/20 0.36
GSK3B P49841 1/20 0.36
PRKCQ Q04759 2/20 0.36
ATM Q13315 1/20 0.36

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
SCHEMBL4479865 0.92 PKM (0.43) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL4490317 0.90 MAPT (0.39) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL4490167 0.88 KMT2A (0.53) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL4491551 0.87 CYP1A2 (0.43) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL4490590 0.86 PRKCQ (0.49) MAPTCYP1A2PKMKMT2AL3MBTL1
SCHEMBL4479093 0.85 PRKCQ (0.46) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL4475566 0.85 MAPT (0.60) MAPTCYP1A2KMT2AL3MBTL1SMN1; SMN2
SCHEMBL4479327 0.85 PRKCQ (0.42) MAPTCYP1A2PKMKMT2AL3MBTL1
SCHEMBL3824064 0.84 CYP1A2 (0.44) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL4483283 0.84 PRKCQ (0.42) MAPTCYP1A2PKMKMT2AL3MBTL1

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 3 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
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 MAPT 3483/4885CYP1A2 2028/4885CYP3A4 2888/4885
US-20060025433-A1 Pyrimidine derivatives useful as inhibitors of PKC-theta PRKCZ, PRKCQ, PRKCH MAPT 3483/4885CYP1A2 2028/4885CYP3A4 2888/4885

“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.