Sugi Predict

Sugi Predict / Compounds / SCHEMBL4899237

SCHEMBL4899237

SCHEMBL4899237

O=Cc1ccc(Nc2nc(Cl)nc3[nH]cnc23)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK5 Q00535 3/20 0.37
▸ CDK5R1 Q15078 3/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ CCNA2 P20248 2/20 0.36
▸ CDK2 P24941 2/20 0.36
▸ CCNA1 P78396 2/20 0.36
▸ DYRK1A Q13627 2/20 0.36
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ TNNI3K Q59H18 1/20 0.34
▸ HDAC3 O15379 1/20 0.33
▸ HDAC4 P56524 1/20 0.33
▸ HDAC1 Q13547 1/20 0.33
▸ HDAC7 Q8WUI4 1/20 0.33
▸ HDAC2 Q92769 1/20 0.33
▸ HDAC10 Q969S8 1/20 0.33
▸ HDAC11 Q96DB2 1/20 0.33
▸ HDAC8 Q9BY41 1/20 0.33
▸ HDAC6 Q9UBN7 1/20 0.33

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
SCHEMBL4846337 0.84 TTBK1 (0.43) MEN1KMT2AJAK2JAK1
SCHEMBL2996501 0.82 AURKA (0.46) POLBDYRK1AMEN1KMT2A
SCHEMBL5840442 0.82 MKNK1 (0.47) —
SCHEMBL3001378 0.81 NFKB1 (0.46) MEN1KMT2A
SCHEMBL22411720 0.80 CCNA2 (0.50) CDK5CDK5R1CCNA2CDK2CCNA1
SCHEMBL7110570 0.80 POLB (0.55) CDK5CDK5R1NPC1POLB
SCHEMBL5839889 0.79 MEN1 (0.50) MEN1KMT2A
SCHEMBL4894848 0.79 MKNK1 (0.52) CDK5CDK5R1NPC1POLBCDK2
SCHEMBL4898610 0.78 EGFR (0.48) NPC1MEN1KMT2A
SCHEMBL3000771 0.78 MAPT (0.52) NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080090849-A1 NOVEL PURINE DERIVATIVES, PREPARATION METHOD AND USE AS MEDICINES AVENTIS PHARMA S.A. (FR) 2008-04-17 — — US disclosed
US-7041824-B2 Purine derivatives, preparation method and use as medicines AVENTIS PHARMA S.A. (FR) 2006-05-09 — — US disclosed
US-20060074095-A1 Novel purine derivatives, preparation method and use as medicines AVENTIS PHARMA S.A. (FR) 2006-04-06 — — US disclosed
US-20040063732-A1 Novel purine derivatives, preparation method and use as medicines AVENTIS PHARMA S.A. (FR) 2004-04-01 — — US disclosed
EP-1347975-A1 NOVEL PURINE DERIVATIVES, PREPARATION METHOD AND USE AS MEDICINES Aventis Pharma S.A. (FR) 2003-10-01 — — EP disclosed
WO-2002051843-A1 NOVEL PURINE DERIVATIVES, PREPARATION METHOD AND USE AS MEDICINES AVENTIS PHARMA S.A. (FR) 2002-07-04 — — 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 (3 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-20040063732-A1 Novel purine derivatives, preparation method and use as medicines CDK1, CDK6, PNP CDK5 25/4885CDK5R1 34/4885NPC1 1938/4885
US-20080090849-A1 NOVEL PURINE DERIVATIVES, PREPARATION METHOD AND USE AS MEDICINES CDK1, CDK6, PNP CDK5 24/4885CDK5R1 48/4885NPC1 2368/4885
US-20060074095-A1 Novel purine derivatives, preparation method and use as medicines CDK1, CDK6, PNP CDK5 21/4885CDK5R1 47/4885NPC1 2301/4885

“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.