SCHEMBL3379300

SCHEMBL3379300

CCn1cnc2c(Nc3ccccc3)nc(Cl)nc21

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
YTHDC1 Q96MU7 4/20 0.60
SRC P12931 2/20 0.58
NPC1 O15118 1/20 0.57
CDK1 P06493 6/20 0.54
PRKCA P17252 2/20 0.54
CCNA2 P20248 3/20 0.51
CDK2 P24941 3/20 0.51
CCNA1 P78396 2/20 0.51
CDK5 Q00535 2/20 0.51
DYRK1A Q13627 2/20 0.51
CDK5R1 Q15078 2/20 0.51
HDAC1 Q13547 2/20 0.51
HDAC2 Q92769 2/20 0.51
HDAC3 O15379 1/20 0.51
HDAC4 P56524 1/20 0.51
HDAC7 Q8WUI4 1/20 0.51
HDAC10 Q969S8 1/20 0.51
HDAC11 Q96DB2 1/20 0.51
HDAC8 Q9BY41 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51

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
SCHEMBL17628619 0.90 YTHDC1 (0.57) YTHDC1NPC1CDK1CCNA2CDK2
SCHEMBL183315 0.90 SRC (0.61) YTHDC1SRCNPC1CDK1PRKCA
SCHEMBL3352454 0.88 NPC1 (0.74) YTHDC1NPC1CDK1PRKCACCNA2
SCHEMBL29444624 0.88 NPC1 (0.74) YTHDC1NPC1CDK1PRKCACCNA2
SCHEMBL5840144 0.87 CDK1 (0.65) YTHDC1SRCNPC1CDK1CCNA2
SCHEMBL7536448 0.87 YTHDC1 (0.74) YTHDC1CDK1CCNA2CDK2HDAC1
SCHEMBL5840317 0.86 CDK1 (0.68) NPC1CDK1PRKCACCNA2CDK2
SCHEMBL6576992 0.84 SRC (0.56) YTHDC1SRCNPC1CDK1PRKCA
SCHEMBL5839410 0.84 CDK1 (0.69) YTHDC1NPC1CDK1PRKCACCNA2
SCHEMBL5839910 0.84 CDK1 (0.69) NPC1CDK1PRKCACCNA2CDK2

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010059418-A1 SUBSTITUTED TRIAZINE AND PURINE COMPOUNDS, METHODS OF INHIBITING CRUZAIN AND RHODESAIN AND METHODS OF TREATING CHAGAS DISEASE AND AFRICAN TRYPANOSOMIASIS THE GOVERNMENT OF THE U.S.A. AS REPRESENTED BY THE SECRETARY OF THE DEPT. OF HEALTH & HUMAN SERVICES (US) 2010-05-27 WO disclosed
CN-1183133-C 2-amino-6-anilino-purines and their use as medicaments ��˹��ŵ�� 2005-01-05 CN disclosed
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
CN-1340054-A 2-amino-6-anilino-purines and their use as medicaments NOVARTIS AG (CH) 2002-03-13 CN 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 YTHDC1 3374/4885SRC 54/4885NPC1 4001/4885

“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.