SCHEMBL31435995

SCHEMBL31435995

COc1nn(C2CCNCC2)cc1-c1cnc2c(c1)c(-c1ccnc(C(F)F)c1)cn2S(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 1/20 0.39
HTR6 P50406 3/20 0.33
ALK Q9UM73 3/20 0.33
KCNH2 Q12809 1/20 0.33
RIPK3 Q9Y572 1/20 0.33
BRD4 O60885 2/20 0.33
TGFBR1 P36897 3/20 0.33
KDR P35968 2/20 0.33
MAPK14 Q16539 2/20 0.33
PIM1 P11309 1/20 0.32
PIM2 Q9P1W9 1/20 0.32
RIPK2 O43353 1/20 0.32
KDM1A O60341 1/20 0.32
PAK1 Q13153 2/20 0.31
MET P08581 1/20 0.31
GRK2 P25098 1/20 0.31
GRK5 P34947 1/20 0.31
BRAF P15056 1/20 0.31
FGFR1 P11362 1/20 0.31
FGFR2 P21802 1/20 0.31

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
SCHEMBL31435935 0.92 PTPN11 (0.39) PTPN11HTR6KCNH2BRD4TGFBR1
SCHEMBL31435990 0.89 PTPN11 (0.39) PTPN11HTR6BRD4PIM1PIM2
SCHEMBL30365155 0.87 PTPN11 (0.40) PTPN11HTR6ALKBRD4PIM1
SCHEMBL31435953 0.86 PTPN11 (0.43) PTPN11ALKKCNH2RIPK3BRD4
SCHEMBL31435977 0.85 PTPN11 (0.39) PTPN11HTR6TGFBR1KDRMAPK14
SCHEMBL31435984 0.85 PTPN11 (0.42) PTPN11HTR6ALKKCNH2RIPK3
SCHEMBL31435979 0.83 PTPN11 (0.40) PTPN11HTR6PIM1PIM2
SCHEMBL31435937 0.80 PTPN11 (0.43) PTPN11KCNH2BRD4PAK1MET
SCHEMBL31436002 0.80 PTPN11 (0.40) PTPN11HTR6ALKBRD4MET
SCHEMBL31435919 0.80 PTPN11 (0.43) PTPN11ALKKCNH2RIPK3BRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250019378-A1 PYRROLE[2,3-B]PYRIDINE DERIVATIVES AS TYRO3 INHIBITORS HALIA THERAPEUTICS INC (US) 2025-01-16 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-20250019378-A1 PYRROLE[2,3-B]PYRIDINE DERIVATIVES AS TYRO3 INHIBITORS TYRO3, TH, TYR PTPN11 65/4885HTR6 1132/4885ALK 145/4885

“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.