Sugi Predict

Sugi Predict / Compounds / SCHEMBL4033318

SCHEMBL4033318

SCHEMBL4033318

Nc1nccc(-c2c3cccnc3n3c(N)nccc23)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK9 P50750 4/20 1.00
▸ CDK2 P24941 5/20 0.59
▸ CDK5 Q00535 4/20 0.59
▸ CDK5R1 Q15078 4/20 0.59
▸ CCNT1 O60563 2/20 0.59
▸ CCNA2 P20248 2/20 0.59
▸ CCNA1 P78396 2/20 0.59
▸ EPAS1 Q99814 1/20 0.49
▸ PDPK1 O15530 1/20 0.43
▸ DYRK1A Q13627 5/20 0.40
▸ HSP90AA1 P07900 3/20 0.40
▸ AURKA O14965 1/20 0.40
▸ PRKACA P17612 1/20 0.40
▸ ADORA2A P29274 1/20 0.40
▸ HSP90AB1 P08238 1/20 0.39
▸ PTK2 Q05397 1/20 0.39
▸ CDC7 O00311 2/20 0.39
▸ CLK1 P49759 2/20 0.38
▸ GSK3B P49841 2/20 0.38
▸ MAP3K14 Q99558 1/20 0.38

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
SCHEMBL13202858 0.90 CDK9 (0.81) CDK9CDK2CDK5CDK5R1CCNT1
SCHEMBL13220587 0.87 CDK9 (0.77) CDK9CDK2CDK5CDK5R1CCNT1
SCHEMBL13202856 0.87 CDK9 (0.77) CDK9CDK2CDK5CDK5R1CCNT1
SCHEMBL13202860 0.84 CDK9 (0.72) CDK9CDK2CDK5CDK5R1CCNT1
SCHEMBL117207 0.84 CDK9 (0.72) CDK9CDK2CDK5CDK5R1CCNT1
SCHEMBL13202950 0.84 CDK9 (0.72) CDK9CDK2CDK5CDK5R1CCNT1
SCHEMBL14311712 0.83 CDK9 (0.70) CDK9CDK2CDK5CDK5R1CCNT1
SCHEMBL4030807 0.82 CDK9 (0.69) CDK9CDK2CDK5CDK5R1CCNT1
SCHEMBL13202951 0.82 CDK9 (0.69) CDK9CDK2CDK5CDK5R1CCNT1
SCHEMBL4031566 0.82 CDK9 (0.69) CDK9CDK2CDK5CDK5R1CCNT1

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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1307454-B1 DERIVATIVES OF VARIOLIN B PHARMA MAR SA (ES) 2009-06-03 — — EP claimed
US-7329666-B2 Derivatives of variolin B PHARMA MAR, S.A. (ES) 2008-02-12 — — US claimed
US-20040058939-A1 Derivatives of variolin b PHARMA MAR, S.A. (ES) 2004-03-25 — — US claimed
EP-1307454-A1 DERIVATIVES OF VARIOLIN B Universidad de Barcelona (ES) 2003-05-07 — — EP claimed
WO-2002012240-A1 DERIVATIVES OF VARIOLIN B UNIVERSIDAD DE BARCELONA (ES) 2002-02-14 — — WO claimed
EP-3782649-B1 BIODEGRADABLE POLYETHYLENE GLYCOL BASED WATER-INSOLUBLE HYDROGELS ASCENDIS PHARMA AS (DK) 2025-05-14 — — EP disclosed
US-20230381323-A1 RELEASABLE CONJUGATES FISH & RICHARDSON PC 2023-11-30 — — US disclosed
US-11786599-B2 Releasable conjugates QUIAPEG PHARMACEUTICALS AB (SE) 2023-10-17 — — US disclosed
US-20230123784-A1 Biodegradable Polyethylene Glycol Based Water-Insoluble Hydrogels ASCENDIS PHARMA A/S (DK) 2023-04-20 — — US disclosed
US-11559482-B2 Biodegradable polyethylene glycol based water-insoluble hydrogels ASCENDIS PHARMA A/S (DE) 2023-01-24 — — US disclosed
EP-4011396-A1 RELEASABLE CONJUGATES QuiaPEG Pharmaceuticals AB (SE) 2022-06-15 — — EP disclosed
US-7772241-B2 Variolin derivatives and their use as antitumor agents PHARMA MAR S.A. (ES) 2010-08-10 — — US disclosed
US-20080033001-A1 Derivatives of Variolin B UNIVERSIDAD DE BARCELONA (ES) 2008-02-07 — — US disclosed
US-20080033001-A1 Derivatives of Variolin B UNIVERSIDAD DE BARCELONA (ES) 2008-02-07 — — US disclosed
US-20080033001-A1 Derivatives of Variolin B UNIVERSIDAD DE BARCELONA (ES) 2008-02-07 — — US disclosed
US-7320981-B2 Antitumor agents PHARMA MAR, S.A. (ES) 2008-01-22 — — US disclosed
US-7320981-B2 Antitumor agents PHARMA MAR, S.A. (ES) 2008-01-22 — — US disclosed
US-20040058939-A1 Derivatives of variolin b PHARMA MAR, S.A. (ES) 2004-03-25 — — US disclosed
EP-1307454-A1 DERIVATIVES OF VARIOLIN B Universidad de Barcelona (ES) 2003-05-07 — — EP disclosed
WO-2002012240-A1 DERIVATIVES OF VARIOLIN B UNIVERSIDAD DE BARCELONA (ES) 2002-02-14 — — 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 (6 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-20080033001-A1 Derivatives of Variolin B ARG2, SDHB, OAT CDK9 1601/4885CDK2 76/4885CDK5 1270/4885
US-20040058939-A1 Derivatives of variolin b HNRNPA2B1, HNRNPAB, SYNCRIP CDK9 2228/4885CDK2 142/4885CDK5 1276/4885
US-20230123784-A1 Biodegradable Polyethylene Glycol Based Water-Insoluble Hydrogels PLG, PHYKPL, PLOD3 CDK9 1293/4885CDK2 1527/4885CDK5 1039/4885
US-20230381323-A1 RELEASABLE CONJUGATES GUSB, ABCB11, UGT2B7 CDK9 2429/4885CDK2 3955/4885CDK5 2607/4885
US-11559482-B2 Biodegradable polyethylene glycol based water-insoluble hydrogels PLG, PHYKPL, PLOD3 CDK9 1293/4885CDK2 1527/4885CDK5 1039/4885
US-11786599-B2 Releasable conjugates GUSB, ABCB11, UGT2B7 CDK9 2429/4885CDK2 3955/4885CDK5 2607/4885

“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.