SCHEMBL1016986

SCHEMBL1016986

Cc1ccc(I)c(C)c1N

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.56
CD44 P16070 1/20 0.39
MAPT P10636 3/20 0.38
NOS3 P29474 3/20 0.36
NOS2 P35228 3/20 0.36
ALDH1A1 P00352 5/20 0.35
LMNA P02545 2/20 0.35
KDM4E B2RXH2 1/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
TDP1 Q9NUW8 2/20 0.33
CASP1 P29466 2/20 0.33
CYP3A4 P08684 5/20 0.32
TSHR P16473 4/20 0.32
NPC1 O15118 1/20 0.32
MAPK1 P28482 1/20 0.32
CASP3 P42574 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
SCHEMBL10211845 0.83 POLB (0.36) POLBCD44CYP3A4TSHRPIK3CA
SCHEMBL10692310 0.79 POLB (0.44) POLBCD44MAPTNOS3NOS2
SCHEMBL394750 0.77 POLB (0.68) POLBCD44MAPTNOS3NOS2
SCHEMBL27500163 0.75 POLB (0.41) POLBCD44MAPTNOS3NOS2
SCHEMBL27355087 0.75 CYP3A4 (0.43) POLBCD44MAPTNOS3NOS2
SCHEMBL27519494 0.75 POLB (0.41) POLBCD44MAPTNOS3NOS2
SCHEMBL8527219 0.75 CYP1A2 (0.35) POLBTSHR
SCHEMBL409314 0.73 POLB (0.61) POLBCD44MAPTNOS3NOS2
SCHEMBL21218770 0.73 ACHE (0.33) TDP1CYP3A4TSHRPIK3CA
SCHEMBL23668109 0.72 POLB (0.62) POLBCD44MAPTNOS3NOS2

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-11111207-B2 One pot, one step process for the halogenation of aromatics using solid acid catalysts COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2021-09-07 US disclosed
US-20190100487-A1 AN IMPROVED ONE POT, ONE STEP PROCESS FOR THE HALOGENATION OF AROMATICS USING SOLID ACID CATALYSTS COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2019-04-04 US disclosed
EP-2271649-A1 BRIDGED, BICYCLIC HETEROCYCLIC OR SPIRO BICYCLIC HETEROCYCLIC DERIVATIVES OF PYRAZOLO[1,5-A]PYRIMIDINES, METHODS FOR PREPARATION AND USES THEREOF Wyeth LLC (US) 2011-01-12 EP disclosed
US-20100029657-A1 Bridged, Bicyclic Heterocyclic or Spiro Bicyclic Heterocyclic Derivatives of Pyrazolo[1, 5-A]Pyrimidines, Methods for Preparation and Uses Thereof WYETH (US) 2010-02-04 US disclosed
WO-2009108838-A1 BRIDGED, BICYCLIC HETEROCYCLIC OR SPIRO BICYCLIC HETEROCYCLIC DERIVATIVES OF PYRAZOLO[1,5-A]PYRIMIDINES, METHODS FOR PREPARATION AND USES THEREOF WYETH (US) 2009-09-03 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-20190100487-A1 AN IMPROVED ONE POT, ONE STEP PROCESS FOR THE HALOGENATION OF AROMATICS USING SOLID ACID CATALYSTS TYR, PAH, ABL1 POLB 1873/4885CD44 4809/4885MAPT 3873/4885
US-20100029657-A1 Bridged, Bicyclic Heterocyclic or Spiro Bicyclic Heterocyclic Derivatives of Pyrazolo[1, 5-A]Pyrimidines, Methods for Preparation and Uses Thereof BRAF, RAF1, ARAF POLB 2401/4885CD44 4831/4885MAPT 3760/4885
US-11111207-B2 One pot, one step process for the halogenation of aromatics using solid acid catalysts TYR, PAH, ABL1 POLB 1243/4885CD44 4764/4885MAPT 3641/4885

“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.