SCHEMBL22492819

SCHEMBL22492819

O=C(c1ccccc1)c1cnccc1Nc1cccc(C(F)(F)F)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 1/20 0.55
RXFP1 Q9HBX9 4/20 0.55
MPO P05164 4/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
TSHR P16473 1/20 0.54
AKR1C3 P42330 1/20 0.54
AKR1C2 P52895 1/20 0.54
TEAD4 Q15561 2/20 0.53
YAP1 P46937 1/20 0.53
TEAD2 Q15562 1/20 0.53
AURKA O14965 3/20 0.53
KIF11 P52732 1/20 0.52
MAPT P10636 1/20 0.52
TAS2R14 Q9NYV8 1/20 0.51
CSNK2A1 P68400 1/20 0.50
GMNN O75496 1/20 0.50
ALDH1A1 P00352 1/20 0.50
LMNA P02545 1/20 0.50
TTR P02766 1/20 0.50

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
Triflocin SCHEMBL3088829 0.88 MPO (0.65) MAPK8RXFP1MPOMEN1KMT2A
SCHEMBL19657901 0.85 RXFP1 (0.70) MAPK8RXFP1MPOAKR1C3AKR1C2
SCHEMBL22492796 0.84 PTGS1 (0.53) MAPK8MEN1KMT2AAURKACSNK2A1
SCHEMBL23547199 0.84 MAPK13 (0.50) MAPK8MEN1KMT2AAKR1C3AKR1C2
SCHEMBL6257310 0.81 SORT1 (0.54) RXFP1MPOMEN1KMT2ATEAD4
SCHEMBL11393764 0.79 CYP11B2 (0.49) RXFP1MPOMEN1KMT2ATSHR
SCHEMBL23547202 0.79 CSNK2A1 (0.45) MAPK8MEN1KMT2ATSHRAURKA
SCHEMBL23547203 0.78 POLB (0.55) MEN1KMT2AAKR1C3AKR1C2MAPT
SCHEMBL22492749 0.78 PTGS1 (0.54) MAPK8KMT2ACSNK2A1LMNACYP3A4
SCHEMBL22492824 0.78 LMNA (0.78) RXFP1MEN1KMT2ATEAD4YAP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210188763-A1 COMPOUNDS AND METHODS FOR HEMATOPOIETIC REGENERATION UNIV CALIFORNIA (US) 2021-06-24 US disclosed
US-20210188763-A1 COMPOUNDS AND METHODS FOR HEMATOPOIETIC REGENERATION UNIV CALIFORNIA (US) 2021-06-24 US disclosed
EP-3717450-A1 COMPOUNDS AND METHODS FOR HEMATOPOIETIC REGENERATION The Regents of the University of California (US) 2020-10-07 EP 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-20210188763-A1 COMPOUNDS AND METHODS FOR HEMATOPOIETIC REGENERATION HGF, CXCL12, CCL11 MAPK8 3072/4885RXFP1 2467/4885MPO 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.