SCHEMBL6574754

SCHEMBL6574754

CCn1cnc2c(Nc3ccc([N+](=O)[O-])cc3)nc(Cl)nc21

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.58
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
SRC P12931 4/20 0.54
HDAC1 Q13547 2/20 0.50
HDAC2 Q92769 2/20 0.50
HDAC3 O15379 1/20 0.50
HDAC4 P56524 1/20 0.50
HDAC7 Q8WUI4 1/20 0.50
HDAC10 Q969S8 1/20 0.50
HDAC11 Q96DB2 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
HDAC9 Q9UKV0 1/20 0.50
HDAC5 Q9UQL6 1/20 0.50
CDK1 P06493 7/20 0.47
NPC1 O15118 2/20 0.46
CDK5 Q00535 2/20 0.46
CDK5R1 Q15078 2/20 0.46
POLB P06746 1/20 0.46

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
SCHEMBL6578399 0.87 NPC1 (0.55) ADORA2AMEN1KMT2ACDK1NPC1
SCHEMBL183351 0.85 MEN1 (0.61) ADORA2AMEN1KMT2AHDAC1HDAC2
SCHEMBL183315 0.85 SRC (0.61) SRCHDAC1HDAC2HDAC3HDAC4
SCHEMBL6576992 0.84 SRC (0.56) SRCHDAC1HDAC2HDAC3HDAC4
SCHEMBL5840144 0.82 CDK1 (0.65) SRCHDAC1HDAC2HDAC3HDAC4
SCHEMBL5839079 0.82 CDK5 (0.68) ADORA2AMEN1KMT2ACDK1NPC1
SCHEMBL3379300 0.82 YTHDC1 (0.60) SRCHDAC1HDAC2HDAC3HDAC4
SCHEMBL244036 0.79 SRC (0.55) SRCHDAC1HDAC2HDAC3HDAC4
SCHEMBL6576966 0.78 CDK1 (0.75) SRCCDK1CDK2PRKCA
SCHEMBL6576969 0.78 CDK1 (0.75) SRCCDK1CDK2PRKCA

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-6767906-B2 INHIBIT P34CDC2/CYCLIN BCDC13 KINASE AND PROTEIN TYROSINE KINASE PP60C-SRC AND CAN BE USED FOR TREATMENT OF HYPERPROLIFERATIVE DISEASES, FOR EXAMPLE CHEMOTHERAPY OF TUMOURS OR OSTEOPOROSIS. NOVARTIS AG (CH) 2004-07-27 US disclosed
EP-1153024-B1 2-AMINO-6-ANILINO-PURINES AND THEIR USE AS MEDICAMENTS NOVARTIS AG (CH) 2004-04-28 EP disclosed
US-20020016329-A1 2-Amino-6-anilino-purines and their use as medicaments NOVARTIS AG (CH) 2002-02-07 US disclosed
EP-1153024-A1 2-AMINO-6-ANILINO-PURINES AND THEIR USE AS MEDICAMENTS Novartis AG (CH) 2001-11-14 EP disclosed
WO-2000049018-A1 2-AMINO-6-ANILINO-PURINES AND THEIR USE AS MEDICAMENTS NOVARTIS AG (CH) 2000-08-24 WO 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 (1 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-20020016329-A1 2-Amino-6-anilino-purines and their use as medicaments CDK14, CDK1, CCNB1 ADORA2A 709/4885MEN1 1981/4885KMT2A 3992/4885

“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.