SCHEMBL19924441

SCHEMBL19924441

Cc1cc(CC(C)c2ccccn2)cc(C(C)C)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.36
KCNA5 P22460 5/20 0.35
KCNH2 Q12809 2/20 0.35
CYP2D6 P10635 2/20 0.34
SLC6A2 P23975 2/20 0.34
SLC6A4 P31645 2/20 0.34
SLC6A3 Q01959 2/20 0.34
CYP3A4 P08684 1/20 0.34
ESR1 P03372 1/20 0.34
ESR2 Q92731 1/20 0.34
SCN8A Q9UQD0 1/20 0.34
CXCR4 P61073 1/20 0.34
KCNE1 P15382 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
CHRM2 P08172 1/20 0.33

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
SCHEMBL22626090 0.83 UHRF1 (0.37) ESR1ESR2CXCR4KDM4E
SCHEMBL26169740 0.80 ESR1 (0.43) ESR1ESR2KDM4E
SCHEMBL3249970 0.76 MAOA (0.50) TSHRKCNA5KCNH2CYP2D6SLC6A2
SCHEMBL18798080 0.76 LOX (0.32) KCNA5KCNH2CYP2D6SLC6A2SLC6A4
SCHEMBL20385505 0.75 ESR1 (0.46) TSHRKCNA5KCNH2CYP2D6SLC6A2
SCHEMBL20385424 0.75 ESR1 (0.46) TSHRKCNA5KCNH2CYP2D6SLC6A2
SCHEMBL25979412 0.75 CYP2C19 (0.45) TSHRCYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL25135962 0.74 NR3C2 (0.36) KCNH2CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL18950253 0.74 SLC6A2 (0.42) TSHRKCNA5KCNH2CYP2D6SLC6A2
SCHEMBL21703726 0.72 TSHR (0.37) TSHRKCNA5KCNH2CYP2D6SLC6A2

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-20230159514-A1 COMPOSITIONS AND METHODS FOR INHIBITING KINASES INHIBIKASE THERAPEUTICS, INC. 2023-05-25 US disclosed
US-20200046699-A1 COMPOSITIONS AND METHODS FOR INHIBITING KINASES INHIBIKASE THERAPEUTICS, INC. 2020-02-13 US disclosed
US-20180057488-A1 COMPOSITIONS AND METHODS FOR INHIBITING KINASES INHIBIKASE THERAPEUTICS, INC. 2018-03-01 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 (3 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-20180057488-A1 COMPOSITIONS AND METHODS FOR INHIBITING KINASES MAP3K1, PACSIN2, MAP3K3 TSHR 4705/4885KCNA5 4103/4885KCNH2 3754/4885
US-20230159514-A1 COMPOSITIONS AND METHODS FOR INHIBITING KINASES MAP3K1, PACSIN2, MAP3K3 TSHR 4705/4885KCNA5 4103/4885KCNH2 3754/4885
US-20200046699-A1 COMPOSITIONS AND METHODS FOR INHIBITING KINASES ABL1, FYN, PTK2 TSHR 4414/4885KCNA5 3603/4885KCNH2 3321/4885

“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.