SCHEMBL4491392

SCHEMBL4491392

Clc1nccc(-c2c[nH]c3c(Cl)cccc23)n1

nearest known ligand 0.75

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 7/20 0.75
▸ AR P10275 9/20 0.62
▸ GSK3B P49841 5/20 0.52
▸ CDK5 Q00535 4/20 0.52
▸ CDK5R1 Q15078 4/20 0.52
▸ CLK1 P49759 3/20 0.52
▸ NFATC1 O95644 2/20 0.49
▸ CCNB2 O95067 1/20 0.46
▸ CDK1 P06493 1/20 0.46
▸ CCNB1 P14635 1/20 0.46
▸ CCNB3 Q8WWL7 1/20 0.46
▸ MAP3K14 Q99558 1/20 0.43
▸ PDPK1 O15530 1/20 0.43
▸ CCNT1 O60563 1/20 0.43
▸ CCNA2 P20248 1/20 0.43
▸ CDK2 P24941 1/20 0.43
▸ CDK9 P50750 1/20 0.43
▸ CCNA1 P78396 1/20 0.43
▸ RET P07949 1/20 0.41

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
SCHEMBL17542614 0.86 AR (0.62) DYRK1AARGSK3BCDK5CDK5R1
SCHEMBL18662633 0.86 DYRK1A (0.64) DYRK1AARGSK3BCDK5CDK5R1
SCHEMBL19100699 0.86 CDK5 (0.71) DYRK1AARGSK3BCDK5CDK5R1
SCHEMBL4487796 0.86 DYRK1A (0.56) DYRK1AARGSK3BCDK5CDK5R1
SCHEMBL30957630 0.86 AR (0.62) DYRK1AARGSK3BCDK5CDK5R1
SCHEMBL30957480 0.86 DYRK1A (0.56) DYRK1AARGSK3BCDK5CDK5R1
SCHEMBL28982791 0.86 DYRK1A (1.00) DYRK1AARGSK3BCDK5CDK5R1
SCHEMBL30369497 0.86 DYRK1A (1.00) DYRK1AARGSK3BCDK5CDK5R1
SCHEMBL24900746 0.82 DYRK1A (0.73) DYRK1AARGSK3BCDK5CDK5R1
SCHEMBL19100649 0.82 DYRK1A (0.53) DYRK1AARGSK3BCDK5CDK5R1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1615898-B1 2-Aminopyrimidine derivatives and their medical use NOVARTIS AG (CH) 2014-10-29 — — EP disclosed
EP-1615898-B1 2-Aminopyrimidine derivatives and their medical use NOVARTIS AG (CH) 2014-10-29 — — EP disclosed
CN-102267988-A 2-aminopyrimidine derivatives and their medical use NOVARTIS LTD 2011-12-07 — — CN disclosed
US-7615562-B2 Such as 2-methyl-4-{5-[2-(2,2,6,6-tetramethyl-piperidin-4-ylamino)-pyrimidin-4-yl]-thiophen-2-yl}-butan-2-ol; tumor necrosis factor inhibitors; immunosuppressants; antiinflammatory agents NOVARTIS AG (CH) 2009-11-10 — — US disclosed
US-7615562-B2 Such as 2-methyl-4-{5-[2-(2,2,6,6-tetramethyl-piperidin-4-ylamino)-pyrimidin-4-yl]-thiophen-2-yl}-butan-2-ol; tumor necrosis factor inhibitors; immunosuppressants; antiinflammatory agents NOVARTIS AG (CH) 2009-11-10 — — US disclosed
US-7615562-B2 Such as 2-methyl-4-{5-[2-(2,2,6,6-tetramethyl-piperidin-4-ylamino)-pyrimidin-4-yl]-thiophen-2-yl}-butan-2-ol; tumor necrosis factor inhibitors; immunosuppressants; antiinflammatory agents NOVARTIS AG (CH) 2009-11-10 — — US disclosed
US-20070043048-A1 2-Aminopyrimidine derivatives and their medical use NOVARTIS AG (CH) 2007-02-22 — — US disclosed
US-20070043048-A1 2-Aminopyrimidine derivatives and their medical use NOVARTIS AG (CH) 2007-02-22 — — US disclosed
US-20070043048-A1 2-Aminopyrimidine derivatives and their medical use NOVARTIS AG (CH) 2007-02-22 — — US disclosed
CN-1802357-A 2-aminopyrimidine derivatives and their medical use NOVARTIS AG (CH) 2006-07-12 — — CN 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-20070043048-A1 2-Aminopyrimidine derivatives and their medical use TPMT, IKBKB, CHUK DYRK1A 1869/4885AR 4133/4885GSK3B 906/4885

“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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