Sugi Predict

Sugi Predict / Compounds / SCHEMBL15948898

SCHEMBL15948898

SCHEMBL15948898

CC(=O)c1ccc(CN2CC[C@H](N(C)C)C2)c(C(F)(F)F)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DDR1 Q08345 9/20 0.59
▸ ABL1 P00519 7/20 0.51
▸ BCR P11274 4/20 0.51
▸ LYN P07948 3/20 0.51
▸ CSK P41240 2/20 0.51
▸ MAPK14 Q16539 2/20 0.51
▸ RIPK2 O43353 1/20 0.51
▸ LCK P06239 1/20 0.51
▸ FYN P06241 1/20 0.51
▸ RET P07949 1/20 0.51
▸ PDGFRB P09619 1/20 0.51
▸ ARAF P10398 1/20 0.51
▸ BRAF P15056 1/20 0.51
▸ NQO2 P16083 1/20 0.51
▸ EPHA2 P29317 1/20 0.51
▸ EPHB2 P29323 1/20 0.51
▸ ABL2 P42684 1/20 0.51
▸ FRK P42685 1/20 0.51
▸ MAPKAPK2 P49137 1/20 0.51
▸ IRAK1 P51617 1/20 0.51

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
SCHEMBL15859826 0.91 DDR1 (0.59) DDR1ABL1BCRLYNCSK
SCHEMBL15859821 0.91 DDR1 (0.59) DDR1ABL1BCRLYNCSK
SCHEMBL3558415 0.91 DDR1 (0.59) DDR1ABL1BCRLYNCSK
SCHEMBL3567113 0.91 DDR1 (0.59) DDR1ABL1BCRLYNCSK
SCHEMBL31003570 0.90 DDR1 (0.60) DDR1ABL1BCRLYNCSK
SCHEMBL3633887 0.90 DDR1 (0.58) DDR1ABL1BCRLYNCSK
SCHEMBL16380767 0.90 DDR1 (0.58) DDR1ABL1BCRLYNCSK
SCHEMBL15946915 0.89 DDR1 (0.59) DDR1ABL1BCRLYNCSK
SCHEMBL19986859 0.88 DDR1 (0.63) DDR1ABL1BCRLYNCSK
SCHEMBL14704629 0.88 DDR1 (0.63) DDR1ABL1BCRLYNCSK

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
US-9833455-B2 Preparation and methods of use for ortho-aryl 5-membered heteroaryl-carboxamide containing multi-targeted kinase inhibitors SPACEFILL ENTERPRISES LLC (US) 2017-12-05 — — US disclosed
US-20160303128-A1 PREPARATION AND METHODS OF USE FOR ORTHO-ARYL 5-MEMBERED HETEROARYL-CARBOXAMIDE CONTAINING MULTI-TARGETED KINASE INHIBITORS VIBLIOME THERAPEUTICS, LLC 2016-10-20 — — US disclosed
US-9221805-B2 Preparation and methods of use for ortho-aryl 5-membered heteroaryl-carboxamide containing multi-targeted kinase inhibitors Spacefill Enterprises LLP (US) 2015-12-29 — — US disclosed
US-20140228367-A1 PREPARATION AND METHODS OF USE FOR ORTHO-ARYL 5-MEMBERED HETEROARYL-CARBOXAMIDE CONTAINING MULTI-TARGETED KINASE INHIBITORS VIBLIOME THERAPEUTICS, LLC 2014-08-14 — — 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-20160303128-A1 PREPARATION AND METHODS OF USE FOR ORTHO-ARYL 5-MEMBERED HETEROARYL-CARBOXAMIDE CONTAINING MULTI-TARGETED KINASE INHIBITORS ABL1, ERBB2, MAP3K2 DDR1 619/4885ABL1 1/4885BCR 377/4885
US-20140228367-A1 PREPARATION AND METHODS OF USE FOR ORTHO-ARYL 5-MEMBERED HETEROARYL-CARBOXAMIDE CONTAINING MULTI-TARGETED KINASE INHIBITORS ABL1, ERBB2, MAP3K2 DDR1 619/4885ABL1 1/4885BCR 377/4885

“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.