SCHEMBL4828085

SCHEMBL4828085

CN1CCCC(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
SCHEMBL17339446 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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20170305920-A1 3-ACETYLENYL-PYRAZOLE-PYRIMIDINE DERIVATIVE, AND PREPARATION METHOD THEREFOR AND USES THEREOF SI CHUAN UNIVERSITY (CN) 2017-10-26 US disclosed
US-7332497-B2 As inhibitors of protein kinases ABBOTT GMBH & CO KG (DE) 2008-02-19 US disclosed
EP-1385524-A4 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS ABBOTT GMBH & CO KG (DE) 2006-02-01 EP disclosed
EP-1379528-A4 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS ABBOTT GMBH (DE) 2005-12-07 EP disclosed
US-6921763-B2 Pyrazolopyrimidines as therapeutic agents ABBOTT LABORATORIES (US) 2005-07-26 US disclosed
EP-1385524-A1 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS Abbott GmbH & Co. KG (DE) 2004-02-04 EP disclosed
EP-1379528-A1 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS ABBOTT GmbH (DE) 2004-01-14 EP disclosed
US-20040006083-A1 Pyrazolopyrimidines as therapeutic agents ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2004-01-08 US disclosed
US-20020156081-A1 Pyrazolopyrimidines as therapeutic agents ABBOTT LABORATORIES (US) 2002-10-24 US disclosed
WO-2002080926-A1 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS ABBOTT GMBH & CO. KG (DE) 2002-10-17 WO disclosed
WO-2002076986-A1 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS ABBOTT GMBH & CO. KG (DE) 2002-10-03 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-20040006083-A1 Pyrazolopyrimidines as therapeutic agents DPYD, UGT1A1, ABCB1 JAK2 1515/4885JAK3 1336/4885EGFR 1992/4885
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-20020156081-A1 Pyrazolopyrimidines as therapeutic agents DPYD, CYP2D6, UGT1A1 JAK2 1212/4885JAK3 1066/4885EGFR 2229/4885

“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.