SCHEMBL2173060

SCHEMBL2173060

NCc1nc(C(=O)O)c[nH]1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.35
TSHR P16473 2/20 0.35
KDM4E B2RXH2 2/20 0.35
ACMSD Q8TDX5 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
HIF1A Q16665 1/20 0.34
HCAR2 Q8TDS4 5/20 0.32
KDM5A P29375 1/20 0.31
JMJD1C Q15652 1/20 0.31
KDM3A Q9Y4C1 1/20 0.31
DAO P14920 1/20 0.31
P4HTM Q9NXG6 1/20 0.30

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
SCHEMBL11119674 0.85 HTR7 (0.36) ALOX15TSHRKDM4EACMSDTDP1
SCHEMBL3689833 0.82 HCAR2 (0.41) ALOX15TSHRKDM4EACMSDTDP1
SCHEMBL3690825 0.80 ALOX15 (0.35) ALOX15TSHRKDM4EACMSDTDP1
SCHEMBL5732065 0.80 ALOX15 (0.35) ALOX15TSHRKDM4EACMSDTDP1
SCHEMBL151395 0.80 HCAR2 (0.43) ALOX15TSHRKDM4EACMSDTDP1
SCHEMBL1437210 0.78 TSHR (0.31) ALOX15TSHRKDM4EACMSDTDP1
SCHEMBL7425210 0.77 HCAR2 (0.46) ALOX15TSHRKDM4EACMSDTDP1
SCHEMBL6898204 0.77 HCAR2 (0.34) ALOX15TSHRKDM4EACMSDTDP1
SCHEMBL948656 0.74 HCAR2 (0.49) ALOX15TSHRKDM4EACMSDTDP1
SCHEMBL3794190 0.74 GABRA1 (0.35) KDM4EHIF1A

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
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-7973061-B2 Anaplastic lymphoma kinase modulators and methods of use EXELIXIS, INC. (US) 2011-07-05 US disclosed
US-20090186905-A1 ANAPLASTIC LYMPHOMA KINASE MODULATORS AND METHODS OF USE EXELIXIS, INC. (US) 2009-07-23 US disclosed
EP-1730128-A1 ANAPLASTIC LYMPHOMA KINASE MODULATORS AND METHODS OF USE Exelixis, Inc. (US) 2006-12-13 EP disclosed
WO-2005097765-A1 ANAPLASTIC LYMPHOMA KINASE MODULATORS AND METHODS OF USE EXELIXIS, INC. (US) 2005-10-20 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-20090186905-A1 ANAPLASTIC LYMPHOMA KINASE MODULATORS AND METHODS OF USE ALK, BCL3, MCL1 ALOX15 1840/4885TSHR 1413/4885KDM4E 422/4885

“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.