Sugi Predict

Sugi Predict / Compounds / SCHEMBL21750964

SCHEMBL21750964

SCHEMBL21750964

O=C(Nc1cc(C(F)(F)F)ccc1F)Nc1ccc(O)cc1Cl

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 4/20 0.57
▸ NTRK1 P04629 1/20 0.57
▸ RET P07949 1/20 0.57
▸ PDGFRB P09619 1/20 0.57
▸ PDGFRA P16234 1/20 0.57
▸ CDK8 P49336 1/20 0.57
▸ NTRK3 Q16288 1/20 0.57
▸ MAPK14 Q16539 1/20 0.57
▸ NTRK2 Q16620 1/20 0.57
▸ TMPRSS4 Q9NRS4 2/20 0.56
▸ CHRNA7 P36544 1/20 0.56
▸ TRPV1 Q8NER1 2/20 0.56
▸ MEN1 O00255 2/20 0.55
▸ KMT2A Q03164 2/20 0.55
▸ CA12 O43570 2/20 0.53
▸ CA1 P00915 2/20 0.53
▸ CA2 P00918 2/20 0.53
▸ CA9 Q16790 2/20 0.53
▸ PDK1 Q15118 1/20 0.50
▸ PDK2 Q15119 1/20 0.50

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
SCHEMBL21750985 0.88 MEN1 (0.59) KDRTMPRSS4CHRNA7TRPV1MEN1
SCHEMBL26697260 0.84 CA12 (0.64) KDRTRPV1MEN1KMT2ACA12
SCHEMBL21750852 0.82 CA12 (0.70) KDRNTRK1RETPDGFRBCDK8
SCHEMBL26697245 0.81 RAB9A (0.53) TRPV1MEN1KMT2APDK1PDK2
SCHEMBL26697304 0.81 KDR (0.74) KDRNTRK1TRPV1MEN1KMT2A
SCHEMBL26697287 0.79 RAB9A (0.65) TRPV1MEN1KMT2APDK1PDK2
SCHEMBL3675242 0.78 TRPV1 (0.64) CHRNA7TRPV1MEN1KMT2ACA12
SCHEMBL21750915 0.77 CA12 (0.56) KDRNTRK1RETPDGFRBPDGFRA
SCHEMBL58719 0.77 KDR (0.53) KDRNTRK1RETPDGFRBPDGFRA
SCHEMBL20472469 0.77 CHRNA7 (0.76) KDRCHRNA7TRPV1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3590941-B1 UREA-SUBSTITUTED AROMATIC RING-LINKED DIOXANE-QUINAZOLINE AND -LINKED DIOXANE-QUINOLINE COMPOUNDS, PREPARATION METHOD THEREFOR AND USE THEREOF BEIJING SCITECH MQ PHARMACEUTICALS LTD (CN) 2023-11-22 — — EP disclosed
US-10980809-B2 Urea-substituted aromatic ring-linked dioxane-quinazoline and -linked dioxane-quinoline compounds, preparation method therefor and use thereof BEIJING SCITECH-MQ PHARMACEUTICALS LIMITED (CN) 2021-04-20 — — US disclosed
CN-108530455-B Urea substituted aromatic ring connecting dioxane and quinazoline compound or medicinal salt or hydrate and application as tyrosine kinase inhibitor 北京赛特明强医药科技有限公司 2021-01-12 — — CN disclosed
US-20200061065-A1 UREA-SUBSTITUTED AROMATIC RING-LINKED DIOXANE-QUINAZOLINE AND -LINKED DIOXANE-QUINOLINE COMPOUNDS, PREPARATION METHOD THEREFOR AND USE THEREOF BEIJING SCITECH-MQ PHARMACEUTICALS LIMITED (CN) 2020-02-27 — — 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-20200061065-A1 UREA-SUBSTITUTED AROMATIC RING-LINKED DIOXANE-QUINAZOLINE AND -LINKED DIOXANE-QUINOLINE COMPOUNDS, PREPARATION METHOD THEREFOR AND USE THEREOF BRAF, RAF1, ARAF KDR 5/4885NTRK1 383/4885RET 10/4885
US-10980809-B2 Urea-substituted aromatic ring-linked dioxane-quinazoline and -linked dioxane-quinoline compounds, preparation method therefor and use thereof BRAF, RAF1, ARAF KDR 5/4885NTRK1 383/4885RET 10/4885

“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.