SCHEMBL16781018

SCHEMBL16781018

C=CC(=O)Nc1cc(Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)c(OC)cc1N1CCC(N(C)C)C1

nearest known ligand 0.75

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 11/20 0.75
▸ ALK Q9UM73 10/20 0.75
▸ INSR P06213 2/20 0.67
▸ ERBB2 P04626 1/20 0.67
▸ ROS1 P08922 1/20 0.67
▸ FER P16591 1/20 0.67
▸ LTK P29376 1/20 0.67
▸ BLK P51451 1/20 0.67
▸ PTK2 Q05397 1/20 0.67
▸ BTK Q06187 1/20 0.67
▸ TNK2 Q07912 1/20 0.67
▸ ERBB4 Q15303 1/20 0.67
▸ SLK Q9H2G2 1/20 0.67
▸ EML4 Q9HC35 1/20 0.67
▸ IGF1R P08069 1/20 0.65
▸ KCNH2 Q12809 1/20 0.65
▸ ZAP70 P43403 2/20 0.62

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
SCHEMBL19027802 0.96 EGFR (0.79) EGFRALKINSRERBB2ROS1
SCHEMBL19027405 0.89 ALK (0.89) EGFRALKINSRERBB2ROS1
SCHEMBL19027794 0.88 ALK (0.95) EGFRALKINSRERBB2ROS1
SCHEMBL19027407 0.88 ALK (0.76) EGFRALKINSRERBB2ROS1
SCHEMBL19027414 0.88 ALK (0.76) EGFRALKINSRERBB2ROS1
SCHEMBL20537119 0.88 ALK (0.76) EGFRALKINSRERBB2ROS1
SCHEMBL19027384 0.88 ALK (0.82) EGFRALKINSRERBB2ROS1
SCHEMBL19027381 0.88 ALK (0.82) EGFRALKINSRERBB2ROS1
SCHEMBL19027947 0.88 ALK (0.84) EGFRALKINSRERBB2ROS1
SCHEMBL20537120 0.87 ALK (0.83) EGFRALKINSRERBB2ROS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2844642-B1 COMPOUNDS FOR INHIBITING CELL PROLIFERATION IN EGFR-DRIVEN CANCERS ARIAD PHARMA INC (US) 2019-11-13 — — EP claimed
US-9834571-B2 Compounds for inhibiting cell proliferation in EGFR-driven cancers ARIAD PHARMACEUTICALS, INC. (US) 2017-12-05 — — US claimed
EP-2844642-B1 COMPOUNDS FOR INHIBITING CELL PROLIFERATION IN EGFR-DRIVEN CANCERS ARIAD PHARMA INC (US) 2019-11-13 — — EP disclosed
US-9834571-B2 Compounds for inhibiting cell proliferation in EGFR-driven cancers ARIAD PHARMACEUTICALS, INC. (US) 2017-12-05 — — US disclosed
US-9834571-B2 Compounds for inhibiting cell proliferation in EGFR-driven cancers ARIAD PHARMACEUTICALS, INC. (US) 2017-12-05 — — US disclosed
US-20160244469-A1 Compounds for Inhibiting Cell Proliferation in EGFR-Driven Cancers TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-08-25 — — US disclosed
US-20150166591-A1 METHODS AND COMPOSITIONS FOR RAF KINASE MEDIATED DISEASES ARIAD PHARMACEUTICALS, INC. 2015-06-18 — — US disclosed
US-20150166591-A1 METHODS AND COMPOSITIONS FOR RAF KINASE MEDIATED DISEASES ARIAD PHARMACEUTICALS, INC. 2015-06-18 — — 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-20150166591-A1 METHODS AND COMPOSITIONS FOR RAF KINASE MEDIATED DISEASES BRAF, RAF1, EGFR EGFR 3/4885ALK 161/4885INSR 856/4885
US-20160244469-A1 Compounds for Inhibiting Cell Proliferation in EGFR-Driven Cancers EGFR, MKI67, ERBB2 EGFR 1/4885ALK 293/4885INSR 726/4885

“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.

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