SCHEMBL4192009

SCHEMBL4192009

NCc1ccc(-c2cncc(-c3cc(NC4CC4)nc(-c4ccccn4)c3)c2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR39 O43194 4/20 0.43
CCNT1 O60563 10/20 0.40
CYP2A6 P11509 1/20 0.37
PIM1 P11309 1/20 0.37
PIM2 Q9P1W9 1/20 0.37
SYK P43405 1/20 0.36
DYRK3 O43781 1/20 0.36
CCNA2 P20248 1/20 0.36
CDK2 P24941 1/20 0.36
CLK1 P49759 1/20 0.36
CLK2 P49760 1/20 0.36
CLK3 P49761 1/20 0.36
CDK9 P50750 1/20 0.36
CDK5 Q00535 1/20 0.36
DYRK1A Q13627 1/20 0.36
CDK5R1 Q15078 1/20 0.36
DYRK2 Q92630 1/20 0.36
CLK4 Q9HAZ1 1/20 0.36
DYRK1B Q9Y463 1/20 0.36
CCR6 P51684 1/20 0.36

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
SCHEMBL3714748 0.86 TGFBR1 (0.46) GPR39DYRK1A
SCHEMBL4168192 0.84 HRH3 (0.40) GPR39CCNT1PIM1DYRK3CCNA2
SCHEMBL3717886 0.84 HRH3 (0.40) GPR39CCNT1PIM1DYRK3CCNA2
SCHEMBL3808218 0.84 ABL1 (0.44) GPR39CCNT1
SCHEMBL3663705 0.84 GPR39 (0.43) GPR39CCNT1PIM1PIM2SYK
SCHEMBL3664707 0.82 CCNT1 (0.42) GPR39CCNT1PIM1PIM2CLK2
SCHEMBL3665002 0.82 GPR39 (0.47) GPR39CCNT1PIM1PIM2CCR6
SCHEMBL3718095 0.82 GPR39 (0.39) GPR39
SCHEMBL3719006 0.82 ACVR1 (0.43) GPR39CCNT1DYRK3CCNA2CDK2
SCHEMBL3663923 0.81 HDAC1 (0.42) GPR39MERTKAXLFLT3GAS6

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 3 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
US-20090215776-A1 Organic compounds ADCOCK CLAIRE 2009-08-27 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 (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 GPR39 222/4885CCNT1 247/4885CYP2A6 916/4885

“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.