SCHEMBL4476877

SCHEMBL4476877

Nc1nc(NCCc2ccccn2)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
KMT2A Q03164 1/20 0.42
MGMT P16455 1/20 0.41
PKM P14618 3/20 0.40
OGA O60502 1/20 0.39
MAPT P10636 3/20 0.39
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.37
HTR2C P28335 1/20 0.36
HTR7 P34969 1/20 0.36
PRKCQ Q04759 3/20 0.36
MAPK1 P28482 2/20 0.36
NPC1 O15118 1/20 0.36
MITF O75030 1/20 0.36
RAB9A P51151 1/20 0.36
HTT P42858 1/20 0.36
CDK5 Q00535 2/20 0.36
CDK5R1 Q15078 2/20 0.36
CYP1A2 P05177 1/20 0.36
NR1I2 O75469 1/20 0.35

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
SCHEMBL4480565 0.92 MGMT (0.43) KMT2AMGMTMAPTALDH1A1LMNA
SCHEMBL5177886 0.89 KMT2A (0.44) KMT2AMGMTPKMOGAMAPT
SCHEMBL4479341 0.87 KMT2A (0.57) KMT2AMAPTLMNAPOLBPRKCQ
SCHEMBL4479907 0.84 PRKCQ (0.50) KMT2AMGMTMAPTALDH1A1POLB
SCHEMBL3817367 0.84 MGMT (0.43) MGMTMAPTLMNAPOLBPRKCQ
SCHEMBL4469214 0.84 KMT2A (0.46) KMT2AMGMTPKMMAPTALDH1A1
SCHEMBL4467715 0.83 KMT2A (0.48) KMT2AMGMTPKMOGAMAPT
SCHEMBL4475566 0.81 MAPT (0.60) KMT2AMAPTALDH1A1LMNAPOLB
SCHEMBL4491193 0.81 PRKCQ (0.48) KMT2AMGMTPKMMAPTALDH1A1
SCHEMBL4484323 0.80 HTR1A (0.47) KMT2APKMMAPTLMNAPOLB

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 KMT2A 2429/4885MGMT 3861/4885PKM 124/4885
US-20060025433-A1 Pyrimidine derivatives useful as inhibitors of PKC-theta PRKCZ, PRKCQ, PRKCH KMT2A 2429/4885MGMT 3861/4885PKM 124/4885

“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.