Sugi Predict

Sugi Predict / Compounds / SCHEMBL4770334

SCHEMBL4770334

SCHEMBL4770334

C[C@@H](Nc1ncnc2[nH]c(-c3ccc(CO)cc3)cc12)c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 18/20 1.00
▸ CSF1R P07333 1/20 1.00
▸ HDAC3 O15379 3/20 0.70
▸ HDAC4 P56524 3/20 0.70
▸ HDAC1 Q13547 3/20 0.70
▸ HDAC7 Q8WUI4 3/20 0.70
▸ HDAC2 Q92769 3/20 0.70
▸ HDAC10 Q969S8 3/20 0.70
▸ HDAC11 Q96DB2 3/20 0.70
▸ HDAC8 Q9BY41 3/20 0.70
▸ HDAC6 Q9UBN7 3/20 0.70
▸ HDAC9 Q9UKV0 3/20 0.70
▸ HDAC5 Q9UQL6 3/20 0.70
▸ ERBB2 P04626 3/20 0.70
▸ KDR P35968 3/20 0.70
▸ STK10 O94804 1/20 0.69
▸ MAP4K4 O95819 1/20 0.69
▸ ABL1 P00519 1/20 0.69
▸ YES1 P07947 1/20 0.69
▸ RET P07949 1/20 0.69

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
SCHEMBL4768460 0.90 EGFR (0.82) EGFRCSF1RHDAC3HDAC4HDAC1
SCHEMBL14066936 0.90 EGFR (0.82) EGFRCSF1RHDAC3HDAC4HDAC1
SCHEMBL4900347 0.90 EGFR (0.82) EGFRCSF1RHDAC3HDAC4HDAC1
SCHEMBL4764025 0.89 EGFR (0.81) EGFRCSF1RHDAC3HDAC4HDAC1
SCHEMBL3845085 0.89 EGFR (0.80) EGFRCSF1RHDAC3HDAC4HDAC1
SCHEMBL28750275 0.89 EGFR (0.80) EGFRCSF1RHDAC3HDAC4HDAC1
SCHEMBL14123571 0.89 EGFR (0.80) EGFRCSF1RHDAC3HDAC4HDAC1
SCHEMBL27603129 0.88 EGFR (0.79) EGFRCSF1RHDAC3HDAC4HDAC1
SCHEMBL4764304 0.88 EGFR (0.79) EGFRCSF1RHDAC3HDAC4HDAC1
SCHEMBL27603019 0.88 EGFR (0.79) EGFRCSF1RHDAC3HDAC4HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080221132-A1 Multi-Functional Small Molecules as Anti-Proliferative Agents CURIS, INC. 2008-09-11 — — US disclosed
US-20080221132-A1 Multi-Functional Small Molecules as Anti-Proliferative Agents CURIS, INC. 2008-09-11 — — US disclosed
US-20080221132-A1 Multi-Functional Small Molecules as Anti-Proliferative Agents CURIS, INC. 2008-09-11 — — US disclosed
WO-2008033747-A9 MULTI-FUNCTIONAL SMALL MOLECULES AS ANTI-PROLIFERATIVE AGENTS CURIS INC (MA) 2008-07-24 — — WO disclosed
US-20080161320-A1 FUSED BICYCLIC PYRIMIDINES AS PTK INHIBITORS CONTAINING A ZINC BINDING MOIETY CURIS, INC. 2008-07-03 — — US disclosed
US-20080161320-A1 FUSED BICYCLIC PYRIMIDINES AS PTK INHIBITORS CONTAINING A ZINC BINDING MOIETY CURIS, INC. 2008-07-03 — — US disclosed
US-20080161320-A1 FUSED BICYCLIC PYRIMIDINES AS PTK INHIBITORS CONTAINING A ZINC BINDING MOIETY CURIS, INC. 2008-07-03 — — US disclosed
US-7390805-B2 4-amino-6-phenyl-pyrrolo[2,3-d]pyrimidine derivatives NOVARTIS AG (CH) 2008-06-24 — — US disclosed
WO-2008033747-A2 MULTI-FUNCTIONAL SMALL MOLECULES AS ANTI-PROLIFERATIVE AGENTS CURIS, INC. (US) 2008-03-20 — — WO disclosed
WO-2008033745-A2 FUSED BICYCLIC PYRIMIDINES AS PTK INHIBITORS CONTAINING A ZINC BINDING MOIETY CURIS, INC. (US) 2008-03-20 — — WO disclosed
EP-1416935-B1 4-AMINO-6-PHENYL-PYRROLO[2,3-D]PYRIMIDINE DERIVATIVES NOVARTIS AG (CH) 2008-03-12 — — EP disclosed
US-7323469-B2 7H-pyrrolo[2,3-d]pyrimidine derivatives NOVARTIS AG (CH) 2008-01-29 — — US disclosed
US-7244729-B2 4-amino-6-phenyl-pyrrolo[2,3-d]pyrimidine derivatives NOVARTIS AG (CH) 2007-07-17 — — US disclosed
US-20070161632-A1 4-AMINO-6-PHENYL-PYRROLO[2,3-D]PYRIMIDINE DERIVATIVES BOLD GUIDO 2007-07-12 — — US disclosed
US-20050038048-A1 Use of 7h-pyrrollo{2,3-d}pyrimidine derivatives in the treatment of solid tumor diseases BALL HOWARD ASHLEY (US) 2005-02-17 — — US disclosed
US-20040248911-A1 7H-pyrrolo[2,3-d]pyrimidine derivatives BOLD GUIDO (CH) 2004-12-09 — — US disclosed
US-20040242600-A1 4-amino-6-phenyl-pyrrolo[2,3-d]pyrimidine derivatives NOVARTIS AG (CH) 2004-12-02 — — 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 (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-20080221132-A1 Multi-Functional Small Molecules as Anti-Proliferative Agents HDAC1, HDAC6, HDAC5 EGFR 2358/4885CSF1R 1746/4885HDAC3 7/4885
US-20050038048-A1 Use of 7h-pyrrollo{2,3-d}pyrimidine derivatives in the treatment of solid tumor diseases TYMS, DPYD, TYMP EGFR 1553/4885CSF1R 3226/4885HDAC3 2630/4885
US-20070161632-A1 4-AMINO-6-PHENYL-PYRROLO[2,3-D]PYRIMIDINE DERIVATIVES TYMP, DPYD, CCND2 EGFR 1650/4885CSF1R 4089/4885HDAC3 3842/4885
US-20040248911-A1 7H-pyrrolo[2,3-d]pyrimidine derivatives DPYD, DHPS, TYMP EGFR 3391/4885CSF1R 3024/4885HDAC3 3290/4885
US-20080161320-A1 FUSED BICYCLIC PYRIMIDINES AS PTK INHIBITORS CONTAINING A ZINC BINDING MOIETY HDAC1, HDAC2, BAZ2A EGFR 1171/4885CSF1R 2305/4885HDAC3 32/4885
US-20040242600-A1 4-amino-6-phenyl-pyrrolo[2,3-d]pyrimidine derivatives DPYD, TYMP, TYMS EGFR 2694/4885CSF1R 3516/4885HDAC3 4074/4885

“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.