SCHEMBL6584590

SCHEMBL6584590

OCCc1nccn1CCCCc1ccc(OCc2coc(/C=C/c3ccc(Br)cc3)n2)cc1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 6/20 0.55
MINK1 Q8N4C8 1/20 0.55
FFAR1 O14842 1/20 0.32
KDM4E B2RXH2 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ATP4A P20648 3/20 0.31
ATP4B P51164 3/20 0.31
HMOX1 P09601 1/20 0.31
NOS1 P29475 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
APP P05067 1/20 0.30

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
SCHEMBL6584596 1.00 ERBB2 (0.55) ERBB2MINK1FFAR1KDM4ENPC1
SCHEMBL3677963 0.92 ERBB2 (0.55) ERBB2MINK1FFAR1SMN1; SMN2ATP4A
SCHEMBL6584047 0.92 ERBB2 (0.55) ERBB2MINK1FFAR1NPC1RAB9A
SCHEMBL6584272 0.92 ERBB2 (0.55) ERBB2MINK1FFAR1ATP4AATP4B
SCHEMBL6584278 0.92 ERBB2 (0.55) ERBB2MINK1FFAR1ATP4AATP4B
SCHEMBL3677965 0.92 ERBB2 (0.55) ERBB2MINK1FFAR1SMN1; SMN2ATP4A
SCHEMBL6582677 0.92 ERBB2 (0.57) ERBB2MINK1FFAR1ATP4AATP4B
SCHEMBL6584042 0.92 ERBB2 (0.55) ERBB2MINK1FFAR1NPC1RAB9A
SCHEMBL6582675 0.92 ERBB2 (0.57) ERBB2MINK1FFAR1ATP4AATP4B
SCHEMBL5751103 0.90 ERBB2 (0.70) ERBB2MINK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040138160-A1 Preventive/therapeutic method for cancer TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-07-15 US disclosed
US-20040116330-A1 Diagnosing or specifying a growth factor receptor expressed in cancer cells, and selectively inhibiting all or a part of the growth factor receptor TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-06-17 US disclosed
US-6716863-B2 TYROSINE KINASE INHIBITORS; ANTITUMOR AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2004-04-06 US disclosed
US-20040058956-A1 Pharmaceutical composition having an improved water solubility TAKEDA CHEMICAL INDUSTRIES LTD. (JP) 2004-03-25 US disclosed
US-20040053972-A1 Medicinal compositions having improved absorbability TAKEDA CHEMICAL INDUSTRIES LTD. (JP) 2004-03-18 US disclosed
EP-1350793-A1 MEDICINAL COMPOSITIONS HAVING IMPROVED ABSORBABILITY Takeda Chemical Industries, Ltd. (JP) 2003-10-08 EP disclosed
EP-1350792-A1 MEDICINAL COMPOSITIONS IMPROVED IN SOLUBLITY IN WATER Takeda Chemical Industries, Ltd. (JP) 2003-10-08 EP disclosed
EP-1268473-A1 OXAZOLE DERIVATIVES AND THEIR USES AS TYROSINE KINASE INHIBITORS Takeda Chemical Industries, Ltd. (JP) 2003-01-02 EP disclosed
US-20020173526-A1 Heterocyclic compounds their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-11-21 US disclosed
WO-2001077107-A1 OXAZOLE DERIVATIVES AND THEIR USES AS TYROSINE KINASE INHIBITORS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-10-18 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 (4 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-20020173526-A1 Heterocyclic compounds their production and use ABL1, ROS1, MAPK1 ERBB2 8/4885MINK1 258/4885FFAR1 1457/4885
US-20040058956-A1 Pharmaceutical composition having an improved water solubility ERBB2, EGFR, ABCG2 ERBB2 1/4885MINK1 3888/4885FFAR1 1397/4885
US-20040138160-A1 Preventive/therapeutic method for cancer EGFR, ERBB2, ERBB3 ERBB2 2/4885MINK1 2919/4885FFAR1 3262/4885
US-20040053972-A1 Medicinal compositions having improved absorbability EGFR, ERBB2, ERBB3 ERBB2 2/4885MINK1 3017/4885FFAR1 2062/4885

“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.