SCHEMBL3622218

SCHEMBL3622218

N#CCC(=O)Nc1cccc(-c2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 17/20 1.00
▸ JAK3 P52333 11/20 1.00
▸ JAK1 P23458 7/20 1.00
▸ TYK2 P29597 4/20 0.71
▸ HDAC1 Q13547 2/20 0.61
▸ MAPK8 P45983 2/20 0.61
▸ MAPK10 P53779 2/20 0.61
▸ BMPR1B O00238 1/20 0.61
▸ PLK4 O00444 1/20 0.61
▸ CIT O14578 1/20 0.61
▸ GAK O14976 1/20 0.61
▸ OPA1 O60313 1/20 0.61
▸ ROCK2 O75116 1/20 0.61
▸ STK16 O75716 1/20 0.61
▸ PRKD3 O94806 1/20 0.61
▸ CSNK2A2 P19784 1/20 0.61
▸ CDK2 P24941 1/20 0.61
▸ MARK3 P27448 1/20 0.61
▸ BMPR1A P36894 1/20 0.61
▸ TGFBR1 P36897 1/20 0.61

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
SCHEMBL30051906 1.00 JAK2 (1.00) JAK2JAK3JAK1TYK2HDAC1
SCHEMBL2861323 0.90 JAK2 (1.00) JAK2JAK3JAK1TYK2HDAC1
SCHEMBL2870956 0.87 JAK2 (0.78) JAK2JAK3JAK1TYK2HDAC1
SCHEMBL13859449 0.87 JAK3 (0.77) JAK2JAK3JAK1TYK2HDAC1
SCHEMBL2856966 0.86 JAK2 (0.78) JAK2JAK3JAK1TYK2HDAC1
SCHEMBL30051912 0.86 JAK2 (0.78) JAK2JAK3JAK1TYK2HDAC1
SCHEMBL4379023 0.86 JAK2 (0.80) JAK2JAK3JAK1TYK2MAPK8
SCHEMBL2879623 0.85 JAK2 (0.76) JAK2JAK3JAK1TYK2HDAC1
SCHEMBL3698982 0.84 JAK2 (0.72) JAK2JAK3JAK1TYK2PLK4
SCHEMBL3621029 0.84 JAK2 (0.75) 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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220388967-A1 Phenyl Amino Pyrimidine Compounds and Uses Thereof SIERRA ONCOLOGY, INC. (US) 2022-12-08 — — US claimed
EP-3023422-A1 PHENYL AMINO PYRIMIDINE COMPOUNDS AND USES THEREOF YM BioSciences Australia Pty Ltd (AU) 2016-05-25 — — EP claimed
US-20140011803-A1 PHENYL AMINO PYRIMIDINE COMPOUNDS AND USES THEREOF GLAXOSMITHKLINE LLC 2014-01-09 — — US claimed
US-20140005180-A1 PHENYL AMINO PYRIMIDINE COMPOUNDS AND USES THEREOF GLAXOSMITHKLINE LLC 2014-01-02 — — US claimed
US-20100197671-A1 PHENYL AMINO PYRIMIDINE COMPOUNDS AND USES THEREOF GLAXOSMITHKLINE LLC 2010-08-05 — — US claimed
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-3023422-A1 PHENYL AMINO PYRIMIDINE COMPOUNDS AND USES THEREOF YM BioSciences Australia Pty Ltd (AU) 2016-05-25 — — EP disclosed
US-9238628-B2 Phenyl amino pyrimidine compounds and uses thereof YM Biosicences Australia PTY LTD (US) 2016-01-19 — — US disclosed
US-9233934-B2 Phenyl amino pyrimidine compounds and uses thereof YM BIOSCIENCES AUSTRALIA PTY LTD (US) 2016-01-12 — — US disclosed
US-9233934-B2 Phenyl amino pyrimidine compounds and uses thereof YM BIOSCIENCES AUSTRALIA PTY LTD (US) 2016-01-12 — — US disclosed
US-20140171433-A1 MULTIPLE MYELOMA TREATMENT YM BIOSCIENCES AUSTRALIA PTY LTD (CA) 2014-06-19 — — US disclosed
EP-2646029-A1 TREATMENT OF JAK2-MEDIATED CONDITIONS YM BioSciences Australia Pty Ltd (AU) 2013-10-09 — — EP disclosed
US-8486941-B2 Phenyl amino pyrimidine compounds and uses thereof YM BIOSCIENCES AUSTRALIA PTY LTD (AU) 2013-07-16 — — US disclosed
US-8486941-B2 Phenyl amino pyrimidine compounds and uses thereof YM BIOSCIENCES AUSTRALIA PTY LTD (AU) 2013-07-16 — — US disclosed
US-8486941-B2 Phenyl amino pyrimidine compounds and uses thereof YM BIOSCIENCES AUSTRALIA PTY LTD (AU) 2013-07-16 — — US disclosed
WO-2012071612-A1 TREATMENT OF JAK2-MEDIATED CONDITIONS YM BIOSCIENCES AUSTRALIA PTY LTD (AU) 2012-06-07 — — WO disclosed
US-20100197671-A1 PHENYL AMINO PYRIMIDINE COMPOUNDS AND USES THEREOF GLAXOSMITHKLINE LLC 2010-08-05 — — US disclosed
US-20100197671-A1 PHENYL AMINO PYRIMIDINE COMPOUNDS AND USES THEREOF GLAXOSMITHKLINE LLC 2010-08-05 — — US disclosed
US-20100197671-A1 PHENYL AMINO PYRIMIDINE COMPOUNDS AND USES THEREOF GLAXOSMITHKLINE LLC 2010-08-05 — — US 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 (6 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-20100197671-A1 PHENYL AMINO PYRIMIDINE COMPOUNDS AND USES THEREOF JAK2, JAK1, JAK3 JAK2 1/4885JAK3 3/4885JAK1 2/4885
US-20140011803-A1 PHENYL AMINO PYRIMIDINE COMPOUNDS AND USES THEREOF JAK2, JAK1, JAK3 JAK2 1/4885JAK3 3/4885JAK1 2/4885
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
US-20140171433-A1 MULTIPLE MYELOMA TREATMENT CD44, IL6, IL6ST JAK2 248/4885JAK3 1028/4885JAK1 677/4885
US-20140005180-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.

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