SCHEMBL15831721

SCHEMBL15831721

CCCN(Cc1ccc(C#N)cc1)Cc1ccc(C#N)cc1

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.59
RORC P51449 2/20 0.58
CYP2A6 P11509 1/20 0.57
LOXL2 Q9Y4K0 2/20 0.48
TSHR P16473 1/20 0.47
HSD17B10 Q99714 1/20 0.47
MAPT P10636 1/20 0.43
NSD2 O96028 1/20 0.43
CRHBP P24387 1/20 0.42
CRHR2 Q13324 1/20 0.42

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
SCHEMBL19088665 0.96 HRH3 (0.64) HRH3RORCCYP2A6LOXL2TSHR
SCHEMBL2201240 0.93 RORC (0.53) HRH3RORCCYP2A6TSHRHSD17B10
SCHEMBL2201741 0.86 RORC (0.48) HRH3RORCCYP2A6TSHRHSD17B10
SCHEMBL541669 0.86 HRH3 (0.59) HRH3RORCCYP2A6LOXL2
SCHEMBL4664138 0.85 HRH3 (0.55) HRH3RORCCYP2A6LOXL2TSHR
SCHEMBL10990552 0.84 TSHR (0.57) HRH3RORCCYP2A6TSHRHSD17B10
SCHEMBL2200787 0.83 MAOA (0.49) RORC
SCHEMBL2204043 0.83 RORC (0.49) HRH3RORCCYP2A6
SCHEMBL29664740 0.82 LOXL2 (0.55) HRH3RORCCYP2A6LOXL2NSD2
SCHEMBL1637428 0.81 SIGMAR1 (0.48) HRH3RORCCYP2A6TSHRHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9115122-B2 Non-ATP dependent inhibitors of extracellular signal-regulated kinase (ERK) UNIVERSITY OF MARYLAND, BALTIMORE (US) 2015-08-25 US disclosed
US-20140179743-A1 NON-ATP DEPENDENT INHIBITORS OF EXTRACELLULAR SIGNAL-REGULATED KINASE (ERK) UNIVERSITY OF MARYLAND, BALTIMORE (US) 2014-06-26 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-20140179743-A1 NON-ATP DEPENDENT INHIBITORS OF EXTRACELLULAR SIGNAL-REGULATED KINASE (ERK) MAPK1, MAP3K1, MAP3K20 HRH3 1287/4885RORC 3747/4885CYP2A6 3159/4885

“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.