SCHEMBL15948446

SCHEMBL15948446

CCCS/C=C/c1cc(C)ccn1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ UHRF1 Q96T88 1/20 0.37
▸ CCR1 P32246 1/20 0.37
▸ CCR5 P51681 1/20 0.37
▸ CCR8 P51685 1/20 0.37
▸ KDM4E B2RXH2 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ NOS2 P35228 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ NOS3 P29474 1/20 0.35
▸ NOS1 P29475 1/20 0.35
▸ HPGD P15428 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ CRHR1 P34998 1/20 0.31
▸ F2R P25116 1/20 0.31
▸ PLAU P00749 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
SCHEMBL12849272 0.87 UHRF1 (0.39) UHRF1CCR1CCR5CCR8KDM4E
SCHEMBL12656983 0.83 NOS3 (0.42) NOS2NOS3NOS1
SCHEMBL16123287 0.82 UHRF1 (0.38) UHRF1CCR1CCR5CCR8KDM4E
SCHEMBL18998988 0.77 GRM4 (0.49) —
SCHEMBL18999299 0.75 BRD4 (0.31) KDM4EKMT2AMEN1HPGDALDH1A1
SCHEMBL13529232 0.75 UHRF1 (0.41) UHRF1CCR1CCR5CCR8KDM4E
SCHEMBL13196334 0.73 GRM4 (0.31) —
SCHEMBL12313289 0.72 KDM4E (0.30) KDM4EKMT2AMEN1HPGDALDH1A1
SCHEMBL23917887 0.71 UHRF1 (0.48) UHRF1CCR1CCR5CCR8KDM4E
SCHEMBL1707627 0.71 UHRF1 (0.48) UHRF1CCR1CCR5CCR8KDM4E

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
US-20170174691-A1 Protein Kinase Conjugates and Inhibitors CELGENE CAR LLC (BM) 2017-06-22 — — US disclosed
US-9504686-B2 ERK inhibitors and uses thereof CELGENE AVILOMICS RESEARCH, INC. (US) 2016-11-29 — — US disclosed
US-20160082008-A1 ERK INHIBITORS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2016-03-24 — — US disclosed
US-20150376208-A1 MK2 INHIBITORS AND USES THEREOF CELGENE AVILOMICS RESEARCH, INC. (US) 2015-12-31 — — US disclosed
US-9145387-B2 ERK inhibitors and uses thereof CELGENE AVILOMICS RESEARCH, INC. (US) 2015-09-29 — — US disclosed
US-20140228322-A1 ERK INHIBITORS AND USES THEREOF CELGENE AVILOMICS RESEARCH, INC. (US) 2014-08-14 — — 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 (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-20150376208-A1 MK2 INHIBITORS AND USES THEREOF MKNK2, DUSP2, MKNK1 UHRF1 3172/4885CCR1 4795/4885CCR5 4111/4885
US-20170174691-A1 Protein Kinase Conjugates and Inhibitors MAP3K20, ADK, TTK UHRF1 1546/4885CCR1 4530/4885CCR5 3743/4885
US-20160082008-A1 ERK INHIBITORS AND USES THEREOF MAP3K20, MAP3K1, MAPK3 UHRF1 1351/4885CCR1 2761/4885CCR5 1439/4885
US-20140228322-A1 ERK INHIBITORS AND USES THEREOF MAP3K20, MAP3K1, MAPK3 UHRF1 1351/4885CCR1 2761/4885CCR5 1439/4885

“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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