SCHEMBL20154964

SCHEMBL20154964

c1cnc2c(-c3ccc4ccc5cccnc5c4n3)cccc2c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 3/20 0.64
CCR5 P51681 3/20 0.64
CCR8 P51685 3/20 0.64
LMNA P02545 3/20 0.64
MMP2 P08253 2/20 0.64
TSHR P16473 2/20 0.64
KDM4E B2RXH2 2/20 0.64
GMNN O75496 1/20 0.64
TP53 P04637 1/20 0.64
HSP90AA1 P07900 1/20 0.64
CYP3A4 P08684 1/20 0.64
CYP2D6 P10635 1/20 0.64
MAPT P10636 1/20 0.64
MMP9 P14780 1/20 0.64
ALOX15 P16050 1/20 0.64
NFKB1 P19838 1/20 0.64
MMP8 P22894 1/20 0.64
THPO P40225 1/20 0.64
MTOR P42345 1/20 0.64
HTT P42858 1/20 0.64

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
SCHEMBL15497974 1.00 CCR1 (0.64) CCR1CCR5CCR8LMNAMMP2
SCHEMBL13311147 0.90 CCR1 (0.61) CCR1CCR5CCR8LMNAMMP2
SCHEMBL19767983 0.90 KDM4E (0.52) CCR1CCR5CCR8LMNAMMP2
SCHEMBL22101153 0.88 CCR1 (0.64) CCR1CCR5CCR8LMNAMMP2
SCHEMBL14900783 0.88 LMNA (0.64) CCR1CCR5CCR8LMNAMMP2
SCHEMBL12853992 0.88 LMNA (0.64) CCR1CCR5CCR8LMNAMMP2
SCHEMBL9380551 0.88 AR (0.54) CCR1CCR5CCR8LMNAMMP2
SCHEMBL30515654 0.88 CCR1 (0.62) CCR1CCR5CCR8LMNAMMP2
SCHEMBL2922581 0.88 CCR1 (0.62) CCR1CCR5CCR8LMNAMMP2
SCHEMBL22101154 0.87 CCR1 (0.76) CCR1CCR5CCR8LMNAMMP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111208077-A Device for on-line testing of ferrous iron and total iron content in sample and use method 中国科学院地质与地球物理研究所 2020-05-29 CN claimed
CN-111208077-B Device for on-line testing of ferrous iron and total iron content in sample and use method 中国科学院地质与地球物理研究所 2021-01-22 CN disclosed
CN-111208077-A Device for on-line testing of ferrous iron and total iron content in sample and use method 中国科学院地质与地球物理研究所 2020-05-29 CN disclosed
US-20200054647-A1 RUTHENIUM COMPLEXES FOR TREATING CANCER WHICH COMPRISES CANCER STEM CELLS UNIVERSIDADE DE SANTIAGO DE COMPOSTELA (ES) 2020-02-20 US disclosed
EP-3539971-A1 RUTHENIUM COMPLEXES FOR TREATING CANCER WHICH COMPRISES CANCER STEM CELLS Universidade de Santiago de Compostela (ES) 2019-09-18 EP disclosed
WO-2018087413-A1 RUTHENIUM COMPLEXES FOR TREATING CANCER WHICH COMPRISES CANCER STEM CELLS UNIVERSIDADE DE SANTIAGO DE COMPOSTELA (ES) 2018-05-17 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 (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-20200054647-A1 RUTHENIUM COMPLEXES FOR TREATING CANCER WHICH COMPRISES CANCER STEM CELLS MYC, MYCBP, MCL1 CCR1 3259/4885CCR5 1575/4885CCR8 3661/4885

“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.