SCHEMBL17846148

SCHEMBL17846148

NCCCCC(NC(=O)O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 2/20 0.47
HTR2A P28223 1/20 0.47
MMP2 P08253 2/20 0.43
MMP9 P14780 1/20 0.43
F2 P00734 2/20 0.40
BDKRB2 P30411 1/20 0.40
UTS2R Q9UKP6 1/20 0.40
DPP8 Q6V1X1 1/20 0.40
DPP9 Q86TI2 1/20 0.40
DPP7 Q9UHL4 1/20 0.40
AKT1 P31749 2/20 0.40
CPB2 Q96IY4 1/20 0.40
TACR3 P29371 1/20 0.40
MAPK13 O15264 1/20 0.40
DYRK3 O43781 1/20 0.40
ROCK2 O75116 1/20 0.40
RPS6KA5 O75582 1/20 0.40
PRKD3 O94806 1/20 0.40
MAP4K4 O95819 1/20 0.40
CHEK2 O96017 1/20 0.40

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
SCHEMBL17846149 0.95 HRH1 (0.53) HRH1HTR2AUTS2RAKT1TACR3
SCHEMBL25270433 0.91 ALDH1A1 (0.45) UTS2RTACR3GSK3AGSK3BPRKCQ
SCHEMBL10323207 0.88 HRH1 (0.50) HRH1HTR2AAKT1MAPK13DYRK3
SCHEMBL9403960 0.86 UTS2R (0.55) UTS2RAKT1MAPK13DYRK3ROCK2
SCHEMBL17846187 0.85 CCR3 (0.49) UTS2RTACR3ROCK2GSK3AGSK3B
SCHEMBL3884658 0.84 TLR2 (0.43) HRH1HTR2A
SCHEMBL2021993 0.83 TACR3 (0.53) MMP2MMP9TACR3
SCHEMBL17846092 0.83 CCR3 (0.50) UTS2RTACR3ROCK2GSK3AGSK3B
SCHEMBL12561312 0.82 HTR2A (0.50) HRH1HTR2AUTS2RTACR3MAPK1
SCHEMBL2021335 0.82 TACR3 (0.55) MMP2MMP9TACR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3233859-B1 BRIDGED PYRAZOLOPYRIDINE DERIVATIVES AS ERK INHIBITORS USEFUL FOR THE TREATEMENT OF CANCER MERCK SHARP & DOHME (US) 2019-08-07 EP disclosed
US-9988397-B2 ERK inhibitors MERCK SHARP & DOHME CORP. (US) 2018-06-05 US disclosed
EP-3233859-A1 ERK INHIBITORS Merck Sharp & Dohme Corp. (US) 2017-10-25 EP disclosed
US-20170267695-A1 ERK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2017-09-21 US disclosed
WO-2016100051-A1 ERK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-06-23 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-20170267695-A1 ERK INHIBITORS MAPK1, MAP3K1, MAPK4 HRH1 2676/4885HTR2A 4751/4885MMP2 1028/4885

“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.