SCHEMBL14635975

SCHEMBL14635975

Nc1nccc2c1c(Br)nn2C1CCCNC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RPS6KA5 O75582 1/20 0.39
RET P07949 1/20 0.38
HTR2B P41595 4/20 0.38
HTR2A P28223 3/20 0.38
HTR2C P28335 3/20 0.38
PIK3CD O00329 5/20 0.37
ABL1 P00519 5/20 0.37
EGFR P00533 5/20 0.37
HCK P08631 5/20 0.37
SRC P12931 5/20 0.37
KDR P35968 5/20 0.37
PIK3CA P42336 5/20 0.37
PIK3CB P42338 5/20 0.37
MTOR P42345 5/20 0.37
PIK3CG P48736 5/20 0.37
EPHB4 P54760 5/20 0.37
PRKDC P78527 5/20 0.37
PI4KB Q9UBF8 4/20 0.37
ROCK1 Q13464 2/20 0.37
ROCK2 O75116 1/20 0.37

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
SCHEMBL14635974 1.00 RPS6KA5 (0.39) RPS6KA5RETHTR2BHTR2AHTR2C
Hydrochloric Acid SCHEMBL21903715 0.99 RPS6KA5 (0.38) RPS6KA5RETHTR2BHTR2AHTR2C
Hydrochloric Acid SCHEMBL21903713 0.99 RPS6KA5 (0.38) RPS6KA5RETHTR2BHTR2AHTR2C
Hydrochloric Acid SCHEMBL31684272 0.99 RPS6KA5 (0.38) RPS6KA5RETHTR2BHTR2AHTR2C
SCHEMBL5818451 0.85 RPS6KA5 (0.39) RPS6KA5RETHTR2BHTR2AHTR2C
Hydrochloric Acid SCHEMBL6273573 0.84 RPS6KA5 (0.38) RPS6KA5RETHTR2BHTR2AHTR2C
SCHEMBL24429388 0.83 RET (0.42) RETPIK3CDABL1EGFRHCK
SCHEMBL28371167 0.81 HTR6 (0.37) RPS6KA5RETHTR2BPIK3CDABL1
SCHEMBL28371168 0.81 HTR6 (0.37) RPS6KA5RETHTR2BPIK3CDABL1
SCHEMBL17779748 0.80 JAK2 (0.54) RETPIK3CDABL1EGFRHCK

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
EP-2734529-B1 BTK INHIBITORS MERCK SHARP & DOHME (US) 2018-09-05 EP disclosed
US-9718828-B2 BTK Inhibitors MERCK SHARP & DOHME CORP. (US) 2017-08-01 US disclosed
US-20170008899-A1 BTK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2017-01-12 US disclosed
US-20140221333-A1 BTK INHIBITORS MERCK SHARP & DOHME B.V. (NL) 2014-08-07 US disclosed
EP-2734529-A1 BTK INHIBITORS Merck Sharp & Dohme Corp. (US) 2014-05-28 EP disclosed
WO-2013010380-A1 BTK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2013-01-24 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 (2 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-20170008899-A1 BTK INHIBITORS BTK, SYK, ABL1 RPS6KA5 199/4885RET 470/4885HTR2B 4289/4885
US-20140221333-A1 BTK INHIBITORS BTK, SYK, ABL1 RPS6KA5 219/4885RET 485/4885HTR2B 4222/4885

“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.