SCHEMBL2865873

SCHEMBL2865873

O=C(O)c1ccc(-c2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)cc1

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 19/20 0.82
JAK3 P52333 12/20 0.81
JAK1 P23458 6/20 0.81
TYK2 P29597 4/20 0.81
HDAC1 Q13547 3/20 0.81
HDAC6 Q9UBN7 2/20 0.81
HDAC3 O15379 1/20 0.81
NCOR1 O75376 1/20 0.81
HDAC2 Q92769 1/20 0.81
HDAC8 Q9BY41 1/20 0.81
CAMK2D Q13557 2/20 0.71
BMPR1B O00238 1/20 0.71
PLK4 O00444 1/20 0.71
CIT O14578 1/20 0.71
GAK O14976 1/20 0.71
OPA1 O60313 1/20 0.71
ROCK2 O75116 1/20 0.71
STK16 O75716 1/20 0.71
PRKD3 O94806 1/20 0.71
CSNK2A2 P19784 1/20 0.71

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
SCHEMBL13590716 0.90 JAK2 (1.00) JAK2JAK3JAK1TYK2HDAC1
SCHEMBL4378778 0.90 JAK2 (0.81) JAK2JAK3JAK1TYK2HDAC1
SCHEMBL2875288 0.90 JAK2 (1.00) JAK2JAK3JAK1TYK2HDAC1
SCHEMBL30715207 0.89 JAK2 (0.67) JAK2JAK3JAK1TYK2HDAC1
SCHEMBL4378486 0.89 JAK2 (0.82) JAK2JAK3JAK1TYK2HDAC1
SCHEMBL23897366 0.89 JAK2 (0.83) JAK2JAK3JAK1TYK2HDAC1
SCHEMBL4385679 0.89 JAK2 (0.78) JAK2JAK3JAK1TYK2HDAC1
Hydrochloric Acid SCHEMBL30221695 0.89 JAK2 (0.96) JAK2JAK3JAK1TYK2HDAC1
SCHEMBL34464779 0.88 JAK2 (0.65) JAK2JAK3JAK1TYK2HDAC1
SCHEMBL27387029 0.88 JAK2 (0.76) JAK2JAK3JAK1TYK2HDAC1

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 53 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009017838-A2 COMBINATIONS OF JAK-2 INHIBITORS AND OTHER AGENTS EXELIXIS, INC. (US) 2009-02-05 WO claimed
WO-2008124085-A2 METHODS OF USING COMBINATIONS OF MEK AND JAK-2 INHIBITORS EXELIXIS, INC. (US) 2008-10-16 WO claimed
US-12570614-B2 Phenyl amino pyrimidine compounds and uses thereof GLAXOSMITH KLINE LLC (US) 2026-03-10 US disclosed
CN-119591550-A Preparation method of molatinib and key intermediate 沈阳药科大学 2025-03-11 CN disclosed
WO-2024035771-A2 ULK3 INHIBITORS AND USES THEREOF H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2024-02-15 WO disclosed
WO-2024035771-A2 ULK3 INHIBITORS AND USES THEREOF H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2024-02-15 WO disclosed
US-20220388967-A1 Phenyl Amino Pyrimidine Compounds and Uses Thereof SIERRA ONCOLOGY, INC. (US) 2022-12-08 US disclosed
US-20210309615-A1 PHENYL AMINO PYRIMIDINE COMPOUNDS AND USES THEREOF GLAXOSMITHKLINE LLC 2021-10-07 US disclosed
EP-2949647-B1 DEUTERATED PHENYL AMINO PYRIMIDINE COMPOUND AND PHARMACEUTICAL COMPOSITION CONTAINING SAME SUZHOU ZELGEN BIOPHARMACEUTICALS CO LTD (CN) 2020-08-05 EP disclosed
CN-104955811-B Deuterated phenylaminopyrimidine compounds and pharmaceutical compositions containing same 上海泽璟医药技术有限公司 2017-09-22 CN disclosed
EP-2867238-B1 PHENYL AMINO PYRIMIDINE BICYCLIC COMPOUNDS AND USES THEREOF YM BIOSCIENCES AUSTRALIA PTY (AU) 2017-08-09 EP disclosed
CN-101421250-A 4-aryl-2-amino-pyrimidines or 4-aryl-2-aminoalkyl-pyrimidines as jak-2 modulators and pharmaceutical compositions containing them EXELIXIS INC (US) 2009-04-29 CN disclosed
WO-2009017838-A2 COMBINATIONS OF JAK-2 INHIBITORS AND OTHER AGENTS EXELIXIS, INC. (US) 2009-02-05 WO disclosed
WO-2009017838-A2 COMBINATIONS OF JAK-2 INHIBITORS AND OTHER AGENTS EXELIXIS, INC. (US) 2009-02-05 WO disclosed
WO-2008124085-A2 METHODS OF USING COMBINATIONS OF MEK AND JAK-2 INHIBITORS EXELIXIS, INC. (US) 2008-10-16 WO disclosed
WO-2008124085-A2 METHODS OF USING COMBINATIONS OF MEK AND JAK-2 INHIBITORS EXELIXIS, INC. (US) 2008-10-16 WO disclosed
EP-1979329-A2 4-ARYL-2-AMINO-PYRIMIDINES OR 4-ARYL-2-AMINOALKYL-PYRIMIDINES AS JAK-2 MODULATORS AND METHODS OF USE Exelixis, Inc. (US) 2008-10-15 EP disclosed
WO-2008109943-A1 PHENYL AMINO PYRIMIDINE COMPOUNDS AND USES THEREOF CYTOPIA RESEARCH PTY LTD (AU) 2008-09-18 WO disclosed
WO-2007089768-A2 4-ARYL-2-AMINO-PYRIMIDINES OR 4-ARYL-2-AMINOALKYL-PYRIMIDINES AS JAK-2 MODULATORS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM EXELIXIS, INC. (US) 2007-08-09 WO disclosed
WO-2007089768-A2 4-ARYL-2-AMINO-PYRIMIDINES OR 4-ARYL-2-AMINOALKYL-PYRIMIDINES AS JAK-2 MODULATORS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM EXELIXIS, INC. (US) 2007-08-09 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 (3 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-12570614-B2 Phenyl amino pyrimidine compounds and uses thereof JAK1, JAK2, JAK3 JAK2 2/4885JAK3 3/4885JAK1 1/4885
US-20210309615-A1 PHENYL AMINO PYRIMIDINE COMPOUNDS AND USES THEREOF JAK2, JAK1, JAK3 JAK2 1/4885JAK3 3/4885JAK1 2/4885
US-20220388967-A1 Phenyl Amino Pyrimidine Compounds and Uses Thereof JAK2, JAK1, JAK3 JAK2 1/4885JAK3 3/4885JAK1 2/4885

“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.