SCHEMBL417420

SCHEMBL417420

[CH2]C(Cl)c1ccc(Cl)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.55
HIF1A Q16665 4/20 0.55
MAPK1 P28482 3/20 0.55
TDP1 Q9NUW8 3/20 0.55
LMNA P02545 3/20 0.47
CYP2A6 P11509 1/20 0.47
TP53 P04637 1/20 0.46
HPGD P15428 1/20 0.46
ADRB2 P07550 1/20 0.46
CYP19A1 P11511 5/20 0.42
IDO1 P14902 4/20 0.42
TDO2 P48775 3/20 0.42
SLC6A4 P31645 2/20 0.40
SLC6A3 Q01959 2/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
KDM4E B2RXH2 1/20 0.40
NR1I2 O75469 1/20 0.40
ABCB11 O95342 1/20 0.40
NR3C1 P04150 1/20 0.40

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
SCHEMBL3535353 0.79 TSHR (0.50) TSHRHIF1AMAPK1TDP1LMNA
SCHEMBL1573440 0.75 TSHR (0.60) TSHRHIF1AMAPK1TDP1LMNA
SCHEMBL7562082 0.75 TSHR (0.60) TSHRHIF1AMAPK1TDP1LMNA
SCHEMBL5006070 0.74 TSHR (0.46) TSHRHIF1AMAPK1TDP1LMNA
SCHEMBL21994332 0.74 TSHR (0.46) TSHRHIF1AMAPK1TDP1LMNA
SCHEMBL3754314 0.74 ADRB2 (0.56) TSHRHIF1AMAPK1TDP1LMNA
SCHEMBL6896036 0.74 ADRB2 (0.56) TSHRHIF1AMAPK1TDP1LMNA
SCHEMBL3745333 0.74 ADRB2 (0.56) TSHRHIF1AMAPK1TDP1LMNA
SCHEMBL1252993 0.74 TSHR (0.46) TSHRHIF1AMAPK1TDP1LMNA
SCHEMBL416903 0.74 IDO1 (0.42) LMNACYP19A1IDO1TDO2HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120022048-A1 Anti-proliferative substituted pyrazolo[3,4-d]pyrimidines derivatives (SPP) to inhibit immune activation, virus replication and tumor growth LORI FRANCO (US) 2012-01-26 US claimed
WO-2011014239-A1 ANTI-PROLIFERATIVE SUBSTITUTED PYRAZOLO[3,4-D]PYRIMIDINES DERIVATIVES (SPP) TO INHIBIT IMMUNE ACTIVATION, VIRUS REPLICATION AND TUMOR GROWTH VIROSTATICS SRL (IT) 2011-02-03 WO claimed
US-20120022048-A1 Anti-proliferative substituted pyrazolo[3,4-d]pyrimidines derivatives (SPP) to inhibit immune activation, virus replication and tumor growth LORI FRANCO (US) 2012-01-26 US disclosed
WO-2011014239-A1 ANTI-PROLIFERATIVE SUBSTITUTED PYRAZOLO[3,4-D]PYRIMIDINES DERIVATIVES (SPP) TO INHIBIT IMMUNE ACTIVATION, VIRUS REPLICATION AND TUMOR GROWTH VIROSTATICS SRL (IT) 2011-02-03 WO disclosed
EP-0718407-B1 Intermediates for the synthesis of eliprodil enantiomers and process for their preparation SANOFI SYNTHELABO (FR) 2002-02-13 EP disclosed
EP-0718407-A1 Intermediates for the synthesis of eliprodil enantiomers and process for their preparation SYNTHELABO (FR) 1996-06-26 EP disclosed
US-4206235-A Novel 2,5-dihalophenyl-β-substituted sulfone fungicides YEDA RESEARCH & DEVELOPMENT CO., LTD. (IL) 1980-06-03 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-20120022048-A1 Anti-proliferative substituted pyrazolo[3,4-d]pyrimidines derivatives (SPP) to inhibit immune activation, virus replication and tumor growth TYMS, TYMP, PCNA TSHR 3358/4885HIF1A 2684/4885MAPK1 1336/4885

“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.