SCHEMBL3662940

SCHEMBL3662940

Cc1cccc(-c2cc(-c3cncc(-c4ccc(CN(C)C)cc4)c3)cc(NC3CC3)n2)n1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.36
BTK Q06187 2/20 0.36
CLK2 P49760 2/20 0.36
CLK3 P49761 2/20 0.36
DYRK1A Q13627 2/20 0.36
CCNT1 O60563 3/20 0.35
CYP1A2 P05177 2/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2D6 P10635 2/20 0.35
CYP2C9 P11712 1/20 0.35
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
ACVR1 Q04771 2/20 0.34
PIM1 P11309 2/20 0.34
PIM2 Q9P1W9 2/20 0.34
TAAR1 Q96RJ0 2/20 0.33
PARP1 P09874 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
PDE4B Q07343 1/20 0.33

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
SCHEMBL4186447 0.91 DYRK1A (0.37) EGFRBTKCLK2CLK3DYRK1A
SCHEMBL3664246 0.88 CLK2 (0.39) EGFRBTKCLK2CLK3DYRK1A
SCHEMBL3720028 0.83 GSK3B (0.42) DYRK1ACCNT1ACVR1HRH3
SCHEMBL4191998 0.83 PRMT6 (0.43) DYRK1AHRH3PDE4B
SCHEMBL3718443 0.81 ACVR1 (0.41) DYRK1AACVR1PARP1HRH3
SCHEMBL3662671 0.81 EGFR (0.37) EGFRBTKCLK2CLK3DYRK1A
SCHEMBL3722068 0.77 DYRK1A (0.43) DYRK1ACCNT1
SCHEMBL3717402 0.77 BMPR1B (0.45) EGFRBTKDYRK1ACYP2C9ACVR1
SCHEMBL4192009 0.75 GPR39 (0.43) CLK2CLK3DYRK1ACCNT1PIM1
SCHEMBL4155020 0.74 TGFBR1 (0.46) DYRK1ACYP3A4TAAR1PARP1HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2242742-B1 PYRIDINE DERIVATIVES NOVARTIS AG (CH) 2015-12-02 EP disclosed
US-8343966-B2 Organic compounds NOVARTIS AG (CH) 2013-01-01 US disclosed
EP-2242742-A2 ORGANIC COMPOUNDS Novartis AG (CH) 2010-10-27 EP disclosed
US-20090215776-A1 Organic compounds ADCOCK CLAIRE 2009-08-27 US disclosed
WO-2009087212-A2 PYRIDINE DERIVATIVES NOVARTIS AG (CH) 2009-07-16 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-20090215776-A1 Organic compounds REN, RXFP1, MYLK EGFR 3844/4885BTK 3224/4885CLK2 4562/4885

“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.