SCHEMBL183635

SCHEMBL183635

[c]1ncccc1-c1nc2ncncc2[nH]1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 4/20 0.56
METAP2 P50579 3/20 0.56
NPY5R Q15761 1/20 0.40
FGFR1 P11362 1/20 0.35
FLT1 P17948 1/20 0.35
PDE5A O76074 3/20 0.35
AURKA O14965 5/20 0.34
WNT1 P04628 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.32
CXCR3 P49682 1/20 0.32
HPSE Q9Y251 1/20 0.32

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
SCHEMBL467132 0.78 METAP2 (0.57) METAP1METAP2NPY5RFGFR1FLT1
SCHEMBL6385063 0.75 METAP2 (0.60) METAP1METAP2NPY5RWNT1
SCHEMBL4875487 0.73 METAP1 (0.67) METAP1METAP2NPY5RFGFR1FLT1
SCHEMBL8777040 0.73 METAP2 (0.51) METAP1METAP2NPY5RPTGDR2
SCHEMBL680854 0.72 METAP2 (0.65) METAP1METAP2NPY5RAURKAPTGDR2
SCHEMBL4924097 0.72 METAP2 (1.00) METAP1METAP2AURKA
Hydrochloric Acid SCHEMBL4456676 0.71 METAP2 (0.63) METAP1METAP2NPY5RAURKAPTGDR2
SCHEMBL7035590 0.71 METAP1 (0.72) METAP1METAP2NPY5RFGFR1FLT1
SCHEMBL82498 0.71 NPC1 (0.58) METAP1METAP2AURKA
SCHEMBL369485 0.70 METAP2 (0.61) METAP1METAP2NPY5R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1021429-A1 ARYL FURAN DERIVATIVES AS PDE IV INHIBITORS MERCK FROSST CANADA INC. (CA) 2000-07-26 EP claimed
WO-1999018095-A1 ARYL FURAN DERIVATIVES AS PDE IV INHIBITORS MERCK FROSST CANADA & CO. (CA) 1999-04-15 WO claimed
EP-2402341-B1 Purinyl derivatives and their use as potassium channel modulators SANIONA AS (DK) 2017-10-25 EP disclosed
US-9340544-B2 Purinyl derivatives and their use as potassium channel modulators ATAXION, INC. (US) 2016-05-17 US disclosed
US-20130109704-A1 PURINYL DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS NEUROSEARCH A/S (DK) 2013-05-02 US disclosed
US-8362024-B2 Purinyl derivatives and their use as potassium channel modulators NEUROSEARCH A/S (DK) 2013-01-29 US disclosed
US-20120004246-A1 PURINYL DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS NEUROSEARCH A/S (DK) 2012-01-05 US disclosed
EP-2402341-A2 Purinyl derivatives and their use as potassium channel modulators NeuroSearch A/S (DK) 2012-01-04 EP disclosed
US-20100152210-A1 PURINYL DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS NEURO SEARCH A/S/ (DK) 2010-06-17 US disclosed
US-20100130516-A1 PURINYL DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS NEUROSEARCH A/S (DK) 2010-05-27 US disclosed
US-20100120797-A1 PURINYL DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS NEUROSEARCH A/S (DK) 2010-05-13 US disclosed
EP-2142547-A1 PURINYL DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS NeuroSearch A/S (DK) 2010-01-13 EP disclosed
EP-2132208-A1 PURINYL DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS NeuroSearch AS (DK) 2009-12-16 EP disclosed
WO-2008116909-A1 PURINYL DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS NEUROSEARCH A/S (DK) 2008-10-02 WO disclosed
WO-2008116910-A1 PURINYL DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS NEUROSEARCH A/S (DK) 2008-10-02 WO disclosed
WO-2008116912-A2 PURINYL DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS NEUROSEARCH A/S (DK) 2008-10-02 WO disclosed
WO-2008116914-A1 PURINYL DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS NEUROSEARCH A/S (DK) 2008-10-02 WO disclosed
WO-2008116911-A1 PURINYL DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS NEUROSEARCH A/S (DK) 2008-10-02 WO disclosed
EP-1021429-A1 ARYL FURAN DERIVATIVES AS PDE IV INHIBITORS MERCK FROSST CANADA INC. (CA) 2000-07-26 EP disclosed
WO-1999018095-A1 ARYL FURAN DERIVATIVES AS PDE IV INHIBITORS MERCK FROSST CANADA & CO. (CA) 1999-04-15 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 (5 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-20120004246-A1 PURINYL DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS KCNJ2, KCNJ5, KCNJ3 METAP1 4100/4885METAP2 3728/4885NPY5R 2098/4885
US-20130109704-A1 PURINYL DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS KCNJ2, KCNJ5, KCNJ3 METAP1 4100/4885METAP2 3728/4885NPY5R 2098/4885
US-20100152210-A1 PURINYL DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS KCNJ2, KCNJ5, KCNJ3 METAP1 4100/4885METAP2 3728/4885NPY5R 2098/4885
US-20100120797-A1 PURINYL DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS KCNJ2, KCNJ5, KCNJ3 METAP1 4100/4885METAP2 3728/4885NPY5R 2098/4885
US-20100130516-A1 PURINYL DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS KCNJ2, KCNJ5, KCNJ3 METAP1 4100/4885METAP2 3728/4885NPY5R 2098/4885

“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.