SCHEMBL487644

SCHEMBL487644

CCOCc1ccc(C)nc1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
GAA P10253 1/20 0.39
CSF1R P07333 1/20 0.38
POLB P06746 1/20 0.38
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
KMT2A Q03164 1/20 0.37
PLA2G7 Q13093 3/20 0.36
ELANE P08246 1/20 0.34
GABRA1 P14867 1/20 0.33
GABRA5 P31644 1/20 0.33
GRM5 P41594 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
SCHEMBL7841404 0.81 PDE1B (0.39) TSHRSMN1; SMN2GAACSF1RPOLB
SCHEMBL9345370 0.80 MAPT (0.49) GABRA1GABRA5
SCHEMBL21241056 0.79 APP (0.41) TSHRSMN1; SMN2GAAPOLBMEN1
SCHEMBL2609181 0.79 LMNA (0.41) TSHRSMN1; SMN2GAAPOLBMEN1
SCHEMBL487301 0.79 TSHR (0.41) TSHRSMN1; SMN2GAAPOLBMEN1
SCHEMBL13536862 0.78 P2RX7 (0.31)
SCHEMBL14535423 0.78 GABRP (0.46) SMN1; SMN2LMNAGABRA1GABRA5
SCHEMBL1727075 0.78 ALDH1A1 (0.48) GAAPOLBMEN1LMNAKMT2A
SCHEMBL15628256 0.78 TSHR (0.40) TSHRSMN1; SMN2GAACSF1RPOLB
SCHEMBL7548902 0.77 CHRNB2 (0.41) TSHRSMN1; SMN2GAAMEN1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8106200-B2 Pyridine borane complexes BASF SE (DE) 2012-01-31 US claimed
US-20110207934-A1 PYRIDINE BORANE COMPLEXES BASF SE (DE) 2011-08-25 US claimed
EP-2066631-B1 PYRIDINE BORANE COMPLEXES BASF SE (DE) 2011-04-06 EP claimed
EP-2066631-A1 PYRIDINE BORANE COMPLEXES BASF SE (DE) 2009-06-10 EP claimed
WO-2008034886-A1 PYRIDINE BORANE COMPLEXES BASF SE (DE) 2008-03-27 WO claimed
US-20240229063-A1 TRANSGENIC CORN EVENT ZM_CSM63715 AND METHODS FOR DETECTION AND USES THEREOF MONSANTO TECHNOLOGY LLC (US) 2024-07-11 US disclosed
US-11014941-B2 Pyrrolopyrimidine derivatives useful as inhibitors of influenza virus replication COCRYSTAL PHARMA, INC. (US) 2021-05-25 US disclosed
US-20200123177-A1 PYRROLOPYRIMIDINE DERIVATIVES USEFUL AS INHIBITORS OF INFLUENZA VIRUS REPLICATION COCRYSTAL PHARMA, INC. 2020-04-23 US disclosed
US-8106200-B2 Pyridine borane complexes BASF SE (DE) 2012-01-31 US disclosed
US-20110207934-A1 PYRIDINE BORANE COMPLEXES BASF SE (DE) 2011-08-25 US disclosed
EP-2066631-B1 PYRIDINE BORANE COMPLEXES BASF SE (DE) 2011-04-06 EP disclosed
EP-2066631-A1 PYRIDINE BORANE COMPLEXES BASF SE (DE) 2009-06-10 EP disclosed
WO-2008034886-A1 PYRIDINE BORANE COMPLEXES BASF SE (DE) 2008-03-27 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 (3 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-11014941-B2 Pyrrolopyrimidine derivatives useful as inhibitors of influenza virus replication ITPA, POLR2H, POLR2E TSHR 3353/4885SMN1; SMN2 2913/4885GAA 1716/4885
US-20200123177-A1 PYRROLOPYRIMIDINE DERIVATIVES USEFUL AS INHIBITORS OF INFLUENZA VIRUS REPLICATION ITPA, POLR2H, POLR2E TSHR 3353/4885SMN1; SMN2 2913/4885GAA 1716/4885
US-20110207934-A1 PYRIDINE BORANE COMPLEXES NBAS, BRD8, PAXBP1 TSHR 3483/4885SMN1; SMN2 3809/4885GAA 4566/4885

“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.