SCHEMBL6584047

SCHEMBL6584047

Cc1ccc(C=Cc2nc(COc3ccc(CCCCn4ccnc4CCO)cc3)co2)cc1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 7/20 0.55
MINK1 Q8N4C8 1/20 0.55
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
FFAR1 O14842 2/20 0.32
ATP4A P20648 3/20 0.31
ATP4B P51164 3/20 0.31
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
CASP3 P42574 1/20 0.31
SENP8 Q96LD8 1/20 0.31
SENP7 Q9BQF6 1/20 0.31
SENP6 Q9GZR1 1/20 0.31
HPGD P15428 1/20 0.31
TYR P14679 1/20 0.31
ALDH1A1 P00352 1/20 0.30
PKM P14618 1/20 0.30
TSHR P16473 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
SCHEMBL6584042 1.00 ERBB2 (0.55) ERBB2MINK1MEN1KMT2AFFAR1
SCHEMBL3677963 0.93 ERBB2 (0.55) ERBB2MINK1MEN1KMT2AFFAR1
SCHEMBL3677965 0.93 ERBB2 (0.55) ERBB2MINK1MEN1KMT2AFFAR1
SCHEMBL6582677 0.92 ERBB2 (0.57) ERBB2MINK1MEN1KMT2AFFAR1
SCHEMBL6584590 0.92 ERBB2 (0.55) ERBB2MINK1MEN1KMT2AFFAR1
SCHEMBL6584596 0.92 ERBB2 (0.55) ERBB2MINK1MEN1KMT2AFFAR1
SCHEMBL6584272 0.92 ERBB2 (0.55) ERBB2MINK1MEN1KMT2AFFAR1
SCHEMBL6584278 0.92 ERBB2 (0.55) ERBB2MINK1MEN1KMT2AFFAR1
SCHEMBL6582675 0.92 ERBB2 (0.57) ERBB2MINK1MEN1KMT2AFFAR1
SCHEMBL26316665 0.92 ERBB2 (0.55) ERBB2MINK1MEN1KMT2AFFAR1

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 11 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
US-20040024035-A1 Heterocyclic compounds, their production and use TASAKA AKIHIRO (JP) 2004-02-05 US disclosed
EP-1350792-A1 MEDICINAL COMPOSITIONS IMPROVED IN SOLUBLITY IN WATER Takeda Chemical Industries, Ltd. (JP) 2003-10-08 EP disclosed
EP-1350793-A1 MEDICINAL COMPOSITIONS HAVING IMPROVED ABSORBABILITY 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 (5 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-20040024035-A1 Heterocyclic compounds, their production and use ABL1, ROS1, MAPK1 ERBB2 6/4885MINK1 340/4885MEN1 582/4885
US-20020173526-A1 Heterocyclic compounds their production and use ABL1, ROS1, MAPK1 ERBB2 8/4885MINK1 258/4885MEN1 501/4885
US-20040058956-A1 Pharmaceutical composition having an improved water solubility ERBB2, EGFR, ABCG2 ERBB2 1/4885MINK1 3888/4885MEN1 4069/4885
US-20040138160-A1 Preventive/therapeutic method for cancer EGFR, ERBB2, ERBB3 ERBB2 2/4885MINK1 2919/4885MEN1 2329/4885
US-20040053972-A1 Medicinal compositions having improved absorbability EGFR, ERBB2, ERBB3 ERBB2 2/4885MINK1 3017/4885MEN1 483/4885

“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.