SCHEMBL2992891

SCHEMBL2992891

O=S(=O)(c1ccccc1)n1cc(I)c2c(OCc3ccccc3)ccnc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.40
BRD4 O60885 1/20 0.39
HTR6 P50406 5/20 0.38
MAPK14 Q16539 2/20 0.37
LTA4H P09960 1/20 0.37
SLC40A1 Q9NP59 1/20 0.37
MET P08581 1/20 0.37
MAOB P27338 1/20 0.35
FFAR1 O14842 1/20 0.34
POLB P06746 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA4 P22748 1/20 0.34
CA5A P35218 1/20 0.34
CA7 P43166 1/20 0.34
CA9 Q16790 1/20 0.34
CA5B Q9Y2D0 1/20 0.34
AR P10275 1/20 0.34
BCHE P06276 1/20 0.34

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
SCHEMBL1050209 0.84 BRD4 (0.43) CYP2C19BRD4HTR6SLC40A1MET
SCHEMBL2995312 0.82 SMN1; SMN2 (0.46) CYP2C19BRD4HTR6MAOBCA9
SCHEMBL2993714 0.81 BRD4 (0.41) CYP2C19BRD4HTR6SLC40A1MET
SCHEMBL3046174 0.81 HTR6 (0.47) HTR6BCHE
SCHEMBL2994928 0.78 BRD4 (0.39) CYP2C19BRD4HTR6METBCHE
SCHEMBL1050296 0.78 CYP2C19 (0.45) CYP2C19BRD4HTR6METKDM4E
SCHEMBL2996616 0.76 APP (0.45) HTR6CA2CA9
SCHEMBL2996618 0.76 SMN1; SMN2 (0.38) HTR6ALDH1A1LMNARECQL
SCHEMBL20659607 0.76 BRD4 (0.38) CYP2C19BRD4HTR6METALDH1A1
SCHEMBL25422548 0.75 L3MBTL1 (0.41) BRD4POLBCA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2125803-B1 PYRROLO[2,3-B]PYRIDINE COMPOUNDS, AZAINDOLE COMPOUNDS USED FOR SYNTHESIZING SAID PYRROLO[2,3-B]PYRIDINE COMPOUNDS, METHODS FOR THE PRODUCTION THEREOF, AND USES THEREOF CENTRE NAT RECH SCIENT (FR) 2013-04-10 EP disclosed
US-20100184790-A1 PYRROLO[2,3-B]PYRIDINE COMPOUNDS, AZAINDOLE COMPOUNDS USED FOR SYNTHESIZING SAID PYRROLO[2,3-B]PYRIDINE COMPOUNDS, METHODS FOR THE PRODUCTION THEREOF, AND USES THEREOF CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2010-07-22 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-20100184790-A1 PYRROLO[2,3-B]PYRIDINE COMPOUNDS, AZAINDOLE COMPOUNDS USED FOR SYNTHESIZING SAID PYRROLO[2,3-B]PYRIDINE COMPOUNDS, METHODS FOR THE PRODUCTION THEREOF, AND USES THEREOF BAD, PPOX, CASP3 CYP2C19 2190/4885BRD4 82/4885HTR6 1772/4885

“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.