SCHEMBL3225544

SCHEMBL3225544

Cc1cc(C(=O)O)n(-c2ccc(C#N)cc2)n1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.46
ALDH1A1 P00352 3/20 0.46
GAA P10253 2/20 0.46
SLC34A1 Q06495 2/20 0.46
GRN P28799 1/20 0.44
SORT1 Q99523 1/20 0.44
RPA1 P27694 1/20 0.43
KMT2A Q03164 3/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
RECQL P46063 1/20 0.43
CTDSP1 Q9GZU7 1/20 0.43
PKM P14618 1/20 0.43
GFER P55789 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
LMNA P02545 1/20 0.41
MDM2 Q00987 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
SCHEMBL27500737 0.87 TSHR (0.42) TSHRALDH1A1SLC34A1RPA1KMT2A
SCHEMBL15428682 0.87 ALDH1A1 (0.45) TSHRALDH1A1SLC34A1KMT2APKM
SCHEMBL1680141 0.85 F10 (0.53) TSHRALDH1A1GAAGRNSORT1
Hydrochloric Acid SCHEMBL3830146 0.83 F10 (0.52) TSHRALDH1A1GAAGRNSORT1
SCHEMBL1340789 0.83 KMT2A (0.58) TSHRALDH1A1GAAGRNSORT1
SCHEMBL3228828 0.82 SLC34A1 (0.49) TSHRALDH1A1SLC34A1KMT2AKDM4E
SCHEMBL5058585 0.82 GRN (0.70) ALDH1A1GAAGRNSORT1RPA1
SCHEMBL1259093 0.81 ALDH1A1 (0.66) TSHRALDH1A1GAAGRNSORT1
SCHEMBL14217734 0.80 TSHR (0.49) TSHRALDH1A1GAAGRNSORT1
SCHEMBL20028685 0.80 KMT2A (0.53) TSHRALDH1A1GAAGRNSORT1

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-20100048539-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2010-02-25 US disclosed
US-20100048539-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2010-02-25 US disclosed
US-20100048539-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2010-02-25 US disclosed
EP-2079729-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2009-07-22 EP disclosed
WO-2008058037-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2008-05-15 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 (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-20100048539-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS PDGFRB, PDGFRA, KIT TSHR 4409/4885ALDH1A1 2082/4885GAA 1005/4885

“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.