SCHEMBL17339446

SCHEMBL17339446

CN1CCC[C@@H](n2nc(I)c3c(N)ncnc32)C1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 8/20 0.64
JAK3 P52333 7/20 0.64
EGFR P00533 7/20 0.64
CDC7 O00311 1/20 0.60
PLK4 O00444 1/20 0.60
DYRK3 O43781 1/20 0.60
PRKD3 O94806 1/20 0.60
MAP4K4 O95819 1/20 0.60
NTRK1 P04629 1/20 0.60
INSR P06213 1/20 0.60
LCK P06239 1/20 0.60
FYN P06241 1/20 0.60
CDK1 P06493 1/20 0.60
RET P07949 1/20 0.60
ROS1 P08922 1/20 0.60
SRC P12931 1/20 0.60
FER P16591 1/20 0.60
PRKACA P17612 1/20 0.60
RPS6KB1 P23443 1/20 0.60
CDK2 P24941 1/20 0.60

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
SCHEMBL4828085 1.00 JAK2 (0.64) JAK2JAK3EGFRCDC7PLK4
SCHEMBL13020470 0.93 JAK2 (0.63) JAK2JAK3EGFRCDC7PLK4
SCHEMBL3782860 0.93 JAK2 (0.63) JAK2JAK3EGFRCDC7PLK4
SCHEMBL19565380 0.88 JAK2 (0.51) JAK2JAK3EGFRJAK1BTK
SCHEMBL4824503 0.87 SRC (0.65) JAK2JAK3EGFRCDC7PLK4
SCHEMBL19471757 0.86 JAK2 (0.62) JAK2JAK3EGFRCDC7PLK4
SCHEMBL19500714 0.86 JAK2 (0.62) JAK2JAK3EGFRCDC7PLK4
SCHEMBL4825086 0.85 LCK (0.70) JAK2JAK3EGFRCDC7PLK4
SCHEMBL1318717 0.84 SRC (0.77) JAK2JAK3EGFRCDC7PLK4
SCHEMBL401336 0.84 KDR (0.77) JAK2JAK3EGFRCDC7PLK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3246327-B1 3-ACETYLENYL-PYRAZOLE-PYRIMIDINE DERIVATIVE, AND PREPARATION METHOD THEREFOR AND USES THEREOF SI CHUAN UNIV (CN) 2022-11-23 EP disclosed
US-20190119281-A1 Pyrazolopyrimidine Derivatives Useful as Inhibitors of Bruton's Tyrosine Kinase LOXO ONCOLOGY INC (US) 2019-04-25 US disclosed
US-10266537-B2 3-acetylenyl-pyrazole-pyrimidine derivative, and preparation method therefor and uses thereof St. Chuan University (CN) 2019-04-23 US disclosed
US-10266537-B2 3-acetylenyl-pyrazole-pyrimidine derivative, and preparation method therefor and uses thereof St. Chuan University (CN) 2019-04-23 US disclosed
EP-3154978-B1 PYRAZOLOPYRIMIDINE DERIVATIVES USEFUL AS INHIBITORS OF BRUTON'S TYROSINE KINASE LOXO ONCOLOGY INC (US) 2019-04-03 EP disclosed
US-9975897-B2 Pyrazolopyrimidine derivatives useful as inhibitors of Bruton's tyrosine kinase LOXO ONCOLOGY, INC. (US) 2018-05-22 US disclosed
US-20170305920-A1 3-ACETYLENYL-PYRAZOLE-PYRIMIDINE DERIVATIVE, AND PREPARATION METHOD THEREFOR AND USES THEREOF SI CHUAN UNIVERSITY (CN) 2017-10-26 US disclosed
US-20170305920-A1 3-ACETYLENYL-PYRAZOLE-PYRIMIDINE DERIVATIVE, AND PREPARATION METHOD THEREFOR AND USES THEREOF SI CHUAN UNIVERSITY (CN) 2017-10-26 US disclosed
US-20170305920-A1 3-ACETYLENYL-PYRAZOLE-PYRIMIDINE DERIVATIVE, AND PREPARATION METHOD THEREFOR AND USES THEREOF SI CHUAN UNIVERSITY (CN) 2017-10-26 US disclosed
US-20170129897-A1 Pyrazolopyrimidine Derivatives Useful as Inhibitors of Bruton's Tyrosine Kinase LOXO ONCOLOGY, INC. 2017-05-11 US disclosed
EP-3154978-A1 PYRAZOLOPYRIMIDINE DERIVATIVES USEFUL AS INHIBITORS OF BRUTON'S TYROSINE KINASE Redx Pharma Plc (GB) 2017-04-19 EP disclosed
WO-2016112846-A1 3-ACETYLENYL-PYRAZOLE-PYRIMIDINE DERIVATIVE, AND PREPARATION METHOD THEREFOR AND USES THEREOF 四川大学 2016-07-21 WO disclosed
WO-2015189620-A1 PYRAZOLOPYRIMIDINE DERIVATIVES USEFUL AS INHIBITORS OF BRUTON'S TYROSINE KINASE REDX PHARMA PLC (GB) 2015-12-17 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 (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-20190119281-A1 Pyrazolopyrimidine Derivatives Useful as Inhibitors of Bruton's Tyrosine Kinase BTK, SYK, LCK JAK2 12/4885JAK3 42/4885EGFR 862/4885
US-20170305920-A1 3-ACETYLENYL-PYRAZOLE-PYRIMIDINE DERIVATIVE, AND PREPARATION METHOD THEREFOR AND USES THEREOF DPYD, TYMP, WEE1 JAK2 307/4885JAK3 461/4885EGFR 1904/4885
US-10266537-B2 3-acetylenyl-pyrazole-pyrimidine derivative, and preparation method therefor and uses thereof DPYD, TYMP, WEE1 JAK2 307/4885JAK3 461/4885EGFR 1904/4885
US-20170129897-A1 Pyrazolopyrimidine Derivatives Useful as Inhibitors of Bruton's Tyrosine Kinase BTK, SYK, LCK JAK2 12/4885JAK3 42/4885EGFR 862/4885

“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.