SCHEMBL4928783

SCHEMBL4928783

ON=C(Nc1cccc(C(F)(F)F)c1)c1cccnc1

nearest known ligand 0.69

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.69
MEN1 O00255 1/20 0.69
TSHR P16473 1/20 0.69
RXFP1 Q9HBX9 1/20 0.57
KIF11 P52732 1/20 0.57
CSF1R P07333 5/20 0.55
BRAF P15056 3/20 0.54
EPHX2 P34913 1/20 0.52
KDR P35968 2/20 0.51
MAPK14 Q16539 2/20 0.51
KIT P10721 1/20 0.51
MAPT P10636 2/20 0.51
LMNA P02545 1/20 0.51
TP53 P04637 1/20 0.51
ALDH1A1 P00352 1/20 0.48
TRPV1 Q8NER1 1/20 0.46
CTSC P53634 1/20 0.46
TNNI3K Q59H18 1/20 0.46

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
SCHEMBL4928780 1.00 KMT2A (0.69) KMT2AMEN1TSHRRXFP1KIF11
SCHEMBL14214468 0.84 KMT2A (0.72) KMT2AMEN1TSHRRXFP1KIF11
SCHEMBL5178391 0.82 MEN1 (1.00) KMT2AMEN1TSHRRXFP1CSF1R
SCHEMBL4727678 0.81 GAA (0.58) KMT2AMEN1TSHRKIF11BRAF
SCHEMBL4727681 0.81 GAA (0.58) KMT2AMEN1TSHRKIF11BRAF
SCHEMBL23539545 0.78 MEN1 (0.63) KMT2AMEN1TSHRRXFP1KIF11
SCHEMBL30041325 0.78 MEN1 (0.63) KMT2AMEN1TSHRRXFP1KIF11
SCHEMBL9191959 0.76 KMT2A (0.71) KMT2AMEN1TSHRKIF11CSF1R
SCHEMBL13540540 0.76 MEN1 (0.78) KMT2AMEN1TSHRRXFP1CSF1R
SCHEMBL4928790 0.74 IDO1 (0.55) KMT2AMEN1TSHRRXFP1KIF11

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-20080119491-A1 AMIDINOHETEROCYCLES AS MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE INCYTE CORPORATION (US) 2008-05-22 US claimed
US-20080119491-A1 AMIDINOHETEROCYCLES AS MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE INCYTE CORPORATION (US) 2008-05-22 US disclosed
US-20080119491-A1 AMIDINOHETEROCYCLES AS MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE INCYTE CORPORATION (US) 2008-05-22 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-20080119491-A1 AMIDINOHETEROCYCLES AS MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE IDO1, IDO2, INMT KMT2A 1256/4885MEN1 1772/4885TSHR 1385/4885

“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.