SCHEMBL5821932

SCHEMBL5821932

Nc1ncnc2c1c(I)nn2C1CCN(C(=O)OCc2ccccc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 4/20 0.53
▸ LCK P06239 3/20 0.53
▸ SRC P12931 2/20 0.53
▸ KDR P35968 2/20 0.53
▸ LIMK1 P53667 2/20 0.53
▸ CDC7 O00311 1/20 0.53
▸ PLK4 O00444 1/20 0.53
▸ DYRK3 O43781 1/20 0.53
▸ PRKD3 O94806 1/20 0.53
▸ MAP4K4 O95819 1/20 0.53
▸ NTRK1 P04629 1/20 0.53
▸ INSR P06213 1/20 0.53
▸ FYN P06241 1/20 0.53
▸ CDK1 P06493 1/20 0.53
▸ RET P07949 1/20 0.53
▸ ROS1 P08922 1/20 0.53
▸ FER P16591 1/20 0.53
▸ PRKACA P17612 1/20 0.53
▸ RPS6KB1 P23443 1/20 0.53
▸ CDK2 P24941 1/20 0.53

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
SCHEMBL5821936 0.85 GRIN2B (0.50) SMN1; SMN2CYP2C19NPC1RAB9AGRIN2B
SCHEMBL30405629 0.82 JAK2 (0.54) JAK2LCKSRCKDRLIMK1
SCHEMBL5802174 0.81 JAK2 (0.67) JAK2LCKSRCKDRLIMK1
SCHEMBL5822928 0.80 SRC (0.65) LCKSRCKDRLIMK1EGFR
SCHEMBL2965560 0.79 SRC (0.58) JAK2LCKSRCKDRLIMK1
SCHEMBL29503478 0.79 SRC (0.58) JAK2LCKSRCKDRLIMK1
SCHEMBL12253480 0.78 JAK2 (0.66) JAK2LCKSRCKDRLIMK1
Bicarbonate SCHEMBL27088025 0.78 RET (0.80) JAK2LCKSRCKDRLIMK1
SCHEMBL25334338 0.78 JAK2 (0.67) JAK2LCKSRCKDRLIMK1
SCHEMBL28399962 0.78 JAK2 (0.67) JAK2LCKSRCKDRLIMK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1385524-A4 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS ABBOTT GMBH & CO KG (DE) 2006-02-01 — — EP disclosed
EP-1608377-A2 PHARMACEUTICAL COMPOSITIONS COMPRISING INHIBITORS OF FAB I AND FURTHER ANTIBIOTICS Affinium Pharmaceuticals, Inc. (CA) 2005-12-28 — — EP disclosed
US-6921763-B2 Pyrazolopyrimidines as therapeutic agents ABBOTT LABORATORIES (US) 2005-07-26 — — US disclosed
WO-2004082586-A2 PHAMACEUTICAL COMPOSITIONS COMPRISING INHIBITORS OF FAB I AND FURTHER ANTIBIOTICS AFFINIUM PHARMACEUTICALS, INC. (US) 2004-09-30 — — WO disclosed
CN-1520298-A Pyrazolopyrimidines as therapeutic agents �����ʩ���عɷݹ�˾ 2004-08-11 — — CN disclosed
EP-1212327-B8 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS ABBOTT GMBH & CO KG (DE) 2004-02-25 — — EP disclosed
EP-1385524-A1 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS Abbott GmbH & Co. KG (DE) 2004-02-04 — — EP disclosed
US-6660744-B1 Kinase inhibitors ABBOTT GMBH & CO. KG (DE) 2003-12-09 — — US disclosed
EP-1212327-B1 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS BASF AG (DE) 2003-08-20 — — EP disclosed
CN-1390219-A Pyrazolopyrimidines as therapeutic agents ABBOTT AG (DE) 2003-01-08 — — CN 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
EP-1212327-A2 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS BASF AKTIENGESELLSCHAFT (DE) 2002-06-12 — — EP disclosed
WO-2001019829-A2 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS BASF AKTIENGESELLSCHAFT (DE) 2001-03-22 — — 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-20020156081-A1 Pyrazolopyrimidines as therapeutic agents DPYD, CYP2D6, UGT1A1 JAK2 1212/4885LCK 1011/4885SRC 1834/4885

“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.

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