Sugi Predict

Sugi Predict / Compounds / SCHEMBL93737

SCHEMBL93737

SCHEMBL93737

C[C@@H](Nc1ncnc2[nH]c(-c3ccc(CN4CCN(C)CC4)cc3)cc12)c1ccccc1

nearest known ligand 0.86

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 11/20 0.86
▸ KDR P35968 6/20 0.86
▸ ERBB2 P04626 4/20 0.86
▸ STK10 O94804 1/20 0.86
▸ MAP4K4 O95819 1/20 0.86
▸ ABL1 P00519 1/20 0.86
▸ YES1 P07947 1/20 0.86
▸ RET P07949 1/20 0.86
▸ PDGFRB P09619 1/20 0.86
▸ BCR P11274 1/20 0.86
▸ FLT1 P17948 1/20 0.86
▸ ERBB3 P21860 1/20 0.86
▸ WEE1 P30291 1/20 0.86
▸ ABL2 P42684 1/20 0.86
▸ NEK3 P51956 1/20 0.86
▸ LIMK1 P53667 1/20 0.86
▸ LIMK2 P53671 1/20 0.86
▸ EPHB4 P54760 1/20 0.86
▸ ACVR1 Q04771 1/20 0.86
▸ TNK2 Q07912 1/20 0.86

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
SCHEMBL93738 1.00 EGFR (0.86) EGFRKDRERBB2STK10MAP4K4
Aee-788 SCHEMBL29478848 0.93 EGFR (1.00) EGFRKDRERBB2STK10MAP4K4
Aee-788 SCHEMBL613755 0.93 EGFR (1.00) EGFRKDRERBB2STK10MAP4K4
Aee-788 SCHEMBL29973591 0.93 EGFR (1.00) EGFRKDRERBB2STK10MAP4K4
Aee-788 SCHEMBL29389001 0.93 EGFR (1.00) EGFRKDRERBB2STK10MAP4K4
Aee-788 SCHEMBL613756 0.93 EGFR (1.00) EGFRKDRERBB2STK10MAP4K4
Aee-788 SCHEMBL1738023 0.93 EGFR (1.00) EGFRKDRERBB2STK10MAP4K4
SCHEMBL27585261 0.93 EGFR (0.86) EGFRKDRERBB2STK10MAP4K4
SCHEMBL4767093 0.93 EGFR (0.86) EGFRKDRERBB2STK10MAP4K4
SCHEMBL4897881 0.92 EGFR (0.82) EGFRKDRERBB2STK10MAP4K4

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-2425830-A1 Synergistic drug combination for the treatment of cancer Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2012-03-07 — — EP claimed
EP-1416935-B1 4-AMINO-6-PHENYL-PYRROLO[2,3-D]PYRIMIDINE DERIVATIVES NOVARTIS AG (CH) 2008-03-12 — — EP claimed
US-7244729-B2 4-amino-6-phenyl-pyrrolo[2,3-d]pyrimidine derivatives NOVARTIS AG (CH) 2007-07-17 — — US claimed
US-20040248911-A1 7H-pyrrolo[2,3-d]pyrimidine derivatives BOLD GUIDO (CH) 2004-12-09 — — US claimed
US-20040242600-A1 4-amino-6-phenyl-pyrrolo[2,3-d]pyrimidine derivatives NOVARTIS AG (CH) 2004-12-02 — — US claimed
EP-3296905-B1 METHOD FOR IDENTIFYING NEW MARKERS ALACRIS THERANOSTICS GMBH (DE) 2023-11-08 — — EP disclosed
EP-3296905-A1 METHOD FOR IDENTIFYING NEW MARKERS Alacris Theranostics GmbH (DE) 2018-03-21 — — EP disclosed
WO-2012028334-A2 MARKER FOR SUNITINIB RESISTANCE FORMATION MAX-PLANCK-GESELLSCHAFT ZUR FÖRDERUNG DER FÖRDERUNG DER WISSENSCHAFTEN E.V. (DE) 2012-03-08 — — WO disclosed
EP-2425830-A1 Synergistic drug combination for the treatment of cancer Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2012-03-07 — — EP disclosed
EP-2426213-A1 Marker for sunitnib resistance formation Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2012-03-07 — — EP disclosed
US-7390805-B2 4-amino-6-phenyl-pyrrolo[2,3-d]pyrimidine derivatives NOVARTIS AG (CH) 2008-06-24 — — US 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 (4 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-20050038048-A1 Use of 7h-pyrrollo{2,3-d}pyrimidine derivatives in the treatment of solid tumor diseases TYMS, DPYD, TYMP EGFR 1553/4885KDR 1470/4885ERBB2 1308/4885
US-20070161632-A1 4-AMINO-6-PHENYL-PYRROLO[2,3-D]PYRIMIDINE DERIVATIVES TYMP, DPYD, CCND2 EGFR 1650/4885KDR 1868/4885ERBB2 539/4885
US-20040248911-A1 7H-pyrrolo[2,3-d]pyrimidine derivatives DPYD, DHPS, TYMP EGFR 3391/4885KDR 3031/4885ERBB2 2012/4885
US-20040242600-A1 4-amino-6-phenyl-pyrrolo[2,3-d]pyrimidine derivatives DPYD, TYMP, TYMS EGFR 2694/4885KDR 2234/4885ERBB2 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.