Sugi Predict

Sugi Predict / Compounds / SCHEMBL16693713

SCHEMBL16693713

SCHEMBL16693713

COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCCCCl

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 12/20 0.76
▸ RET P07949 3/20 0.76
▸ PDGFRB P09619 2/20 0.76
▸ PLK4 O00444 1/20 0.76
▸ GAK O14976 1/20 0.76
▸ EPHB6 O15197 1/20 0.76
▸ RIPK2 O43353 1/20 0.76
▸ ERN1 O75460 1/20 0.76
▸ STK10 O94804 1/20 0.76
▸ MAP4K4 O95819 1/20 0.76
▸ CHEK2 O96017 1/20 0.76
▸ ABL1 P00519 1/20 0.76
▸ EGFR P00533 1/20 0.76
▸ ERBB2 P04626 1/20 0.76
▸ LCK P06239 1/20 0.76
▸ FYN P06241 1/20 0.76
▸ CSF1R P07333 1/20 0.76
▸ YES1 P07947 1/20 0.76
▸ LYN P07948 1/20 0.76
▸ MET P08581 1/20 0.76

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
SCHEMBL665691 0.96 KDR (0.73) KDRRETPDGFRBPLK4GAK
SCHEMBL15966394 0.92 KDR (0.76) KDRRETPDGFRBPLK4GAK
SCHEMBL296675 0.91 KDR (0.75) KDRRETPDGFRBPLK4GAK
SCHEMBL1401711 0.91 KDR (0.75) KDRRETPDGFRBPLK4GAK
SCHEMBL22779588 0.91 KDR (0.75) KDRRETPDGFRBPLK4GAK
SCHEMBL15952729 0.91 KDR (0.73) KDRRETPDGFRBPLK4GAK
SCHEMBL296506 0.90 KDR (0.73) KDRRETPDGFRBPLK4GAK
SCHEMBL13883489 0.89 KDR (0.72) KDRRETPDGFRBPLK4GAK
SCHEMBL21886103 0.88 KDR (0.70) KDRRETPDGFRBPLK4GAK
SCHEMBL15953717 0.88 KDR (0.71) KDRRETPDGFRBPLK4GAK

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
US-11713323-B2 Crystalline forms of therapeutic compounds and uses thereof KALA PHARMACEUTICALS, INC. (US) 2023-08-01 — — US disclosed
US-11401260-B2 Biochemical binding of RET9 and VEGFR2 inhibitors KALA PHARMACEUTICALS, INC. (US) 2022-08-02 — — US disclosed
US-20210355133-A1 CRYSTALLINE FORMS OF THERAPEUTIC COMPOUNDS AND USES THEREOF KALA BIO, Inc. 2021-11-18 — — US disclosed
US-20210179582-A1 Biochemical binding of RET9 and VEGFR2 inhibitors KALA BIO, Inc. 2021-06-17 — — US disclosed
US-20210179582-A1 Biochemical binding of RET9 and VEGFR2 inhibitors KALA BIO, Inc. 2021-06-17 — — US disclosed
US-10975090-B2 Crystalline forms of therapeutic compounds and uses thereof KALA PHARMACEUTICALS, INC. (US) 2021-04-13 — — US disclosed
EP-3697775-A1 RET9 AND VEGFR2 INHIBITORS Kala Pharmaceuticals, Inc. (US) 2020-08-26 — — EP disclosed
CN-111465601-A RET9 and VEGFR2 inhibitors 卡拉制药公司 2020-07-28 — — CN disclosed
US-20200216459-A1 CRYSTALLINE FORMS OF THERAPEUTIC COMPOUNDS AND USES THEREOF KALA BIO, Inc. 2020-07-09 — — US disclosed
EP-3062618-B1 CRYSTALLINE FORMS OF THERAPEUTIC COMPOUNDS AND USES THEREOF KALA PHARMACEUTICALS INC (US) 2020-02-05 — — EP disclosed
WO-2019079747-A1 RET9 AND VEGFR2 INHIBITORS KALA PHARMACEUTICALS, INC. (US) 2019-04-25 — — WO disclosed
WO-2019079747-A1 RET9 AND VEGFR2 INHIBITORS KALA PHARMACEUTICALS, INC. (US) 2019-04-25 — — WO disclosed
US-20190077810-A1 CRYSTALLINE FORMS OF THERAPEUTIC COMPOUNDS AND USES THEREOF KALA BIO, Inc. 2019-03-14 — — US disclosed
US-9790232-B2 Crystalline forms of therapeutic compounds and uses thereof KALA PHARMACEUTICALS, INC. (US) 2017-10-17 — — US disclosed
US-9458169-B2 Crystalline forms of therapeutic compounds and uses thereof KALA PHARMACEUTICALS, INC. (US) 2016-10-04 — — US disclosed
US-20160115176-A1 CRYSTALLINE FORMS OF THERAPEUTIC COMPOUNDS AND USES THEREOF KALA BIO, Inc. 2016-04-28 — — US disclosed
US-20150125535-A1 CRYSTALLINE FORMS OF THERAPEUTIC COMPOUNDS AND USES THEREOF KALA BIO, Inc. 2015-05-07 — — US disclosed
WO-2015066482-A1 CRYSTALLINE FORMS OF THERAPEUTIC COMPOUNDS AND USES THEREOF KALA PHARMACEUTICALS, INC. (US) 2015-05-07 — — 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 (9 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-11713323-B2 Crystalline forms of therapeutic compounds and uses thereof AQP3, CFTR, NPC1 KDR 4668/4885RET 3678/4885PDGFRB 3212/4885
US-11401260-B2 Biochemical binding of RET9 and VEGFR2 inhibitors KDR, FLT1, RET KDR 1/4885RET 3/4885PDGFRB 51/4885
US-20160115176-A1 CRYSTALLINE FORMS OF THERAPEUTIC COMPOUNDS AND USES THEREOF AQP3, CFTR, NPC1 KDR 4668/4885RET 3678/4885PDGFRB 3212/4885
US-20210355133-A1 CRYSTALLINE FORMS OF THERAPEUTIC COMPOUNDS AND USES THEREOF AQP3, CFTR, NPC1 KDR 4668/4885RET 3678/4885PDGFRB 3212/4885
US-20190077810-A1 CRYSTALLINE FORMS OF THERAPEUTIC COMPOUNDS AND USES THEREOF AQP3, CFTR, NPC1 KDR 4668/4885RET 3678/4885PDGFRB 3212/4885
US-20150125535-A1 CRYSTALLINE FORMS OF THERAPEUTIC COMPOUNDS AND USES THEREOF AQP3, CFTR, NPC1 KDR 4656/4885RET 3622/4885PDGFRB 3158/4885
US-10975090-B2 Crystalline forms of therapeutic compounds and uses thereof AQP3, CFTR, NPC1 KDR 4668/4885RET 3678/4885PDGFRB 3212/4885
US-20200216459-A1 CRYSTALLINE FORMS OF THERAPEUTIC COMPOUNDS AND USES THEREOF AQP3, CFTR, NPC1 KDR 4668/4885RET 3678/4885PDGFRB 3212/4885
US-20210179582-A1 Biochemical binding of RET9 and VEGFR2 inhibitors KDR, FLT1, RET KDR 1/4885RET 3/4885PDGFRB 51/4885

“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.