Sugi Predict

Sugi Predict / Compounds / SCHEMBL4897876

SCHEMBL4897876

SCHEMBL4897876

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

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 11/20 0.82
▸ KDR P35968 6/20 0.82
▸ ERBB2 P04626 4/20 0.82
▸ STK10 O94804 1/20 0.82
▸ MAP4K4 O95819 1/20 0.82
▸ ABL1 P00519 1/20 0.82
▸ YES1 P07947 1/20 0.82
▸ RET P07949 1/20 0.82
▸ PDGFRB P09619 1/20 0.82
▸ BCR P11274 1/20 0.82
▸ FLT1 P17948 1/20 0.82
▸ ERBB3 P21860 1/20 0.82
▸ WEE1 P30291 1/20 0.82
▸ ABL2 P42684 1/20 0.82
▸ NEK3 P51956 1/20 0.82
▸ LIMK1 P53667 1/20 0.82
▸ LIMK2 P53671 1/20 0.82
▸ EPHB4 P54760 1/20 0.82
▸ ACVR1 Q04771 1/20 0.82
▸ TNK2 Q07912 1/20 0.82

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
SCHEMBL4897881 1.00 EGFR (0.82) EGFRKDRERBB2STK10MAP4K4
SCHEMBL93738 0.92 EGFR (0.86) EGFRKDRERBB2STK10MAP4K4
SCHEMBL93737 0.92 EGFR (0.86) EGFRKDRERBB2STK10MAP4K4
SCHEMBL4903156 0.91 KDR (0.86) EGFRKDRERBB2STK10MAP4K4
Aee-788 SCHEMBL29389001 0.90 EGFR (1.00) EGFRKDRERBB2STK10MAP4K4
Aee-788 SCHEMBL29478848 0.90 EGFR (1.00) EGFRKDRERBB2STK10MAP4K4
Aee-788 SCHEMBL1738023 0.90 EGFR (1.00) EGFRKDRERBB2STK10MAP4K4
Aee-788 SCHEMBL613756 0.90 EGFR (1.00) EGFRKDRERBB2STK10MAP4K4
Aee-788 SCHEMBL29973591 0.90 EGFR (1.00) EGFRKDRERBB2STK10MAP4K4
Aee-788 SCHEMBL613755 0.90 EGFR (1.00) 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 6 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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 2358/4885KDR 2667/4885ERBB2 2794/4885
US-20080161320-A1 FUSED BICYCLIC PYRIMIDINES AS PTK INHIBITORS CONTAINING A ZINC BINDING MOIETY HDAC1, HDAC2, BAZ2A EGFR 1171/4885KDR 1887/4885ERBB2 223/4885

“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.