SCHEMBL6867612

SCHEMBL6867612

COc1ccc2c(c1)cc(C(=O)c1cc3ccccc3n1Cc1ccccc1)n2Cc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 8/20 0.61
PTGS2 P35354 1/20 0.54
CCR9 P51686 1/20 0.53
KMT2A Q03164 1/20 0.52
ALDH1A1 P00352 3/20 0.52
KDM4E B2RXH2 2/20 0.52
POLB P06746 2/20 0.52
HPGD P15428 2/20 0.52
MAPT P10636 1/20 0.52
PLA2G2A P14555 2/20 0.51
NOD2 Q9HC29 1/20 0.51
NOD1 Q9Y239 1/20 0.51
PLA2G1B P04054 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.50
HSD17B10 Q99714 1/20 0.50
HTT P42858 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
SCHEMBL9536869 0.89 CCR2 (0.76) CCR2PTGS2CCR9ALDH1A1KDM4E
SCHEMBL6865348 0.86 GRIK1 (0.56) CCR2ALDH1A1KDM4EPOLBHPGD
SCHEMBL6865628 0.85 PDGFRB (0.60) CCR2KMT2AKDM4EMAPT
SCHEMBL7685387 0.85 PDGFRB (0.60) CCR2KMT2AKDM4EMAPT
SCHEMBL3964251 0.84 CCR2 (0.74) CCR2PTGS2CCR9KMT2AALDH1A1
SCHEMBL29433700 0.84 CCR2 (0.74) CCR2PTGS2CCR9KMT2AALDH1A1
SCHEMBL9622481 0.83 NOD2 (0.64) CCR2PTGS2KMT2AALDH1A1KDM4E
SCHEMBL9622982 0.82 CCR2 (0.58) CCR2PTGS2CCR9KMT2AALDH1A1
SCHEMBL7884326 0.82 KMT2A (0.72) CCR2PTGS2KMT2AMAPTNOD2
SCHEMBL3956671 0.81 CCR2 (0.77) CCR2CCR9KMT2APOLBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6812243-B2 AS TYROSINE KINASE INHIBITORS; FOR THERARPY OF TUMORS, ARTERIOSCLEROSIS, RESTENOSIS AFTER BALLOON ANGIOPLASTY, ARTHRITIS AND FIBROTIC DISEASES ZENTARIS AG (DE) 2004-11-02 US disclosed
US-20030008898-A1 Indole derivatives and their use for the treatment of malignant and other diseases based on pathological proliferation ZENTARIS AG (DE) 2003-01-09 US disclosed
US-6407102-B1 TYROSINE KINASE AND PLATELET-DERIVED GROWTH FACTOR INHIBITORS; ANTICARCINOGENIC, ANTITUMOR, ANTIARTHRITIC AND ANTIPROLIFERATIVE AGENTS; RESTENOSIS, ARTERIOSCLEROSIS ZENTARIS AG (DE) 2002-06-18 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 (1 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-20030008898-A1 Indole derivatives and their use for the treatment of malignant and other diseases based on pathological proliferation MKI67, IDO1, CCNI CCR2 2813/4885PTGS2 781/4885CCR9 3786/4885

“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.