Sugi Predict

Sugi Predict / Compounds / SCHEMBL4768460

SCHEMBL4768460

SCHEMBL4768460

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

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 19/20 0.82
▸ CSF1R P07333 1/20 0.82
▸ ERBB2 P04626 2/20 0.71
▸ KDR P35968 2/20 0.71
▸ STK10 O94804 1/20 0.71
▸ MAP4K4 O95819 1/20 0.71
▸ ABL1 P00519 1/20 0.71
▸ YES1 P07947 1/20 0.71
▸ RET P07949 1/20 0.71
▸ PDGFRB P09619 1/20 0.71
▸ BCR P11274 1/20 0.71
▸ FLT1 P17948 1/20 0.71
▸ ERBB3 P21860 1/20 0.71
▸ WEE1 P30291 1/20 0.71
▸ ABL2 P42684 1/20 0.71
▸ NEK3 P51956 1/20 0.71
▸ LIMK1 P53667 1/20 0.71
▸ LIMK2 P53671 1/20 0.71
▸ EPHB4 P54760 1/20 0.71
▸ ACVR1 Q04771 1/20 0.71

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
SCHEMBL4900347 1.00 EGFR (0.82) EGFRCSF1RERBB2KDRSTK10
SCHEMBL14066936 0.91 EGFR (0.82) EGFRCSF1RERBB2KDRSTK10
SCHEMBL4770334 0.90 EGFR (1.00) EGFRCSF1RERBB2KDRSTK10
SCHEMBL3845085 0.90 EGFR (0.80) EGFRCSF1RERBB2KDRSTK10
SCHEMBL28750275 0.90 EGFR (0.80) EGFRCSF1RERBB2KDRSTK10
SCHEMBL14123571 0.90 EGFR (0.80) EGFRCSF1RERBB2KDRSTK10
SCHEMBL4764304 0.89 EGFR (0.79) EGFRCSF1RERBB2KDRSTK10
SCHEMBL27603019 0.89 EGFR (0.79) EGFRCSF1RERBB2KDRSTK10
SCHEMBL27603129 0.89 EGFR (0.79) EGFRCSF1RERBB2KDRSTK10
SCHEMBL4766628 0.88 EGFR (0.77) EGFRCSF1RERBB2KDRSTK10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1416935-B1 4-AMINO-6-PHENYL-PYRROLO[2,3-D]PYRIMIDINE DERIVATIVES NOVARTIS AG (CH) 2008-03-12 — — EP claimed
CN-101560214-B 4-amino-6-phenyl-pyrrolo[2, 3-d]pyrimidine derivatives NOVARTIS AG 2011-05-25 — — CN disclosed
CN-101560214-A 4-amino-6-phenyl-pyrrolo[2, 3-d]pyrimidine derivatives NOVARTIS AG (CH) 2009-10-21 — — CN 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
US-20080221132-A1 Multi-Functional Small Molecules as Anti-Proliferative Agents CURIS, INC. 2008-09-11 — — 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-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-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-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
CN-1538847-A 4-amino-6-phenyl-pyrrolo [2, 3-d ] pyrimidine derivatives ��˹��ŵ�� 2004-10-20 — — CN 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 (5 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 1746/4885ERBB2 2794/4885
US-20070161632-A1 4-AMINO-6-PHENYL-PYRROLO[2,3-D]PYRIMIDINE DERIVATIVES TYMP, DPYD, CCND2 EGFR 1650/4885CSF1R 4089/4885ERBB2 539/4885
US-20040248911-A1 7H-pyrrolo[2,3-d]pyrimidine derivatives DPYD, DHPS, TYMP EGFR 3391/4885CSF1R 3024/4885ERBB2 2012/4885
US-20080161320-A1 FUSED BICYCLIC PYRIMIDINES AS PTK INHIBITORS CONTAINING A ZINC BINDING MOIETY HDAC1, HDAC2, BAZ2A EGFR 1171/4885CSF1R 2305/4885ERBB2 223/4885
US-20040242600-A1 4-amino-6-phenyl-pyrrolo[2,3-d]pyrimidine derivatives DPYD, TYMP, TYMS EGFR 2694/4885CSF1R 3516/4885ERBB2 1341/4885

“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.