SCHEMBL18576289

SCHEMBL18576289

COc1cc(-c2cccc3[nH]c(-c4c[nH]c5ccccc45)nc23)cc(OC)c1OC(C)(C)C(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDGFRB P09619 6/20 0.46
▸ KDR P35968 6/20 0.45
▸ FLT4 P35916 5/20 0.45
▸ FLT3 P36888 5/20 0.45
▸ PLK4 O00444 3/20 0.45
▸ AURKA O14965 3/20 0.45
▸ SRC P12931 3/20 0.45
▸ TEK Q02763 3/20 0.45
▸ AURKB Q96GD4 3/20 0.45
▸ KIT P10721 2/20 0.45
▸ PDGFRA P16234 2/20 0.45
▸ NUAK1 O60285 2/20 0.45
▸ EGFR P00533 2/20 0.45
▸ INSR P06213 2/20 0.45
▸ IGF1R P08069 2/20 0.45
▸ CDK4 P11802 2/20 0.45
▸ CCND1 P24385 2/20 0.45
▸ PTK2 Q05397 2/20 0.45
▸ ABL1 P00519 1/20 0.45
▸ ERBB2 P04626 1/20 0.45

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
SCHEMBL17251710 0.89 PDGFRB (0.56) PDGFRBKDRFLT4FLT3PLK4
SCHEMBL18562043 0.85 PDGFRB (0.49) PDGFRBKDRFLT4FLT3PLK4
SCHEMBL18576291 0.84 CDK2 (0.48) KDRFLT4FLT3PLK4AURKA
SCHEMBL17251712 0.73 PARP1 (0.59) BRD4PARP1TUBB4ATUBBTUBA3C
SCHEMBL17251722 0.72 CDK2 (0.53) KDRCDK4CCND1FLT1CCNA2
SCHEMBL8818585 0.71 PARP1 (0.62) BRD4PARP1TUBB4ATUBBTUBA3C
SCHEMBL18562035 0.71 BRD4 (0.49) PDGFRBKDRFLT4FLT3AURKA
SCHEMBL18562042 0.69 DHODH (0.55) BRD4PARP1AMY1ADHODHPARP2
SCHEMBL8817550 0.68 PARP1 (0.63) AURKAPARP1AMY1ADHODHPARP2
SCHEMBL18562045 0.68 CDK2 (0.53) KDRCDK4CCND1FLT1CCNA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170057930-A1 COMPOUNDS FOR TREATMENT OF CANCER GTX, INC. (US) 2017-03-02 — — 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 (1 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-20170057930-A1 COMPOUNDS FOR TREATMENT OF CANCER TP53, TUBB1, TUBB6 PDGFRB 3105/4885KDR 3972/4885FLT4 1316/4885

“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.

Send feedback