SCHEMBL5640146

SCHEMBL5640146

O=C(Nc1ccncc1)Nc1ccc(F)cc1C(F)(F)F

nearest known ligand 0.70

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.70
KMT2A Q03164 4/20 0.60
MEN1 O00255 3/20 0.60
TAAR1 Q96RJ0 2/20 0.60
MDM2 Q00987 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
P2RY1 P47900 1/20 0.48
MAPT P10636 2/20 0.48
LMNA P02545 1/20 0.48
MTOR P42345 1/20 0.48
EGFR P00533 1/20 0.47
FGFR1 P11362 1/20 0.47
KDR P35968 1/20 0.47
ALDH1A1 P00352 1/20 0.47
POLB P06746 1/20 0.47

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
SCHEMBL22926421 0.84 TAAR1 (0.64) HTTKMT2AMEN1TAAR1NPC1
SCHEMBL4117684 0.82 EPHX2 (0.55) HTTSMN1; SMN2NPC1RAB9AMAPT
SCHEMBL5950286 0.82 HTT (0.56) HTTKMT2AMEN1TAAR1MDM2
Water SCHEMBL30430295 0.81 HTT (0.97) HTTKMT2AMEN1TAAR1MDM2
SCHEMBL4917143 0.77 KMT2A (1.00) HTTKMT2AMEN1TAAR1MDM2
SCHEMBL6677249 0.75 SMN1; SMN2 (0.66) HTTKMT2AMEN1SMN1; SMN2NPC1
SCHEMBL13695931 0.75 MAPT (0.69) HTTKMT2AMEN1SMN1; SMN2NPC1
SCHEMBL2755850 0.74 KIF11 (0.51) HTTSMN1; SMN2NPC1RAB9AP2RY1
SCHEMBL20560635 0.74 RAB9A (0.49) HTTKMT2AMEN1SMN1; SMN2RAB9A
SCHEMBL30603334 0.74 SMN1; SMN2 (0.46) HTTSMN1; SMN2NPC1RAB9AMAPT

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-7217722-B2 Nitrogen-containing compounds having kinase inhibitory activity and drugs containing the same KIRIN BEER KABUSHIKI KAISHA (JP) 2007-05-15 US disclosed
US-7217722-B2 Nitrogen-containing compounds having kinase inhibitory activity and drugs containing the same KIRIN BEER KABUSHIKI KAISHA (JP) 2007-05-15 US disclosed
US-7217722-B2 Nitrogen-containing compounds having kinase inhibitory activity and drugs containing the same KIRIN BEER KABUSHIKI KAISHA (JP) 2007-05-15 US disclosed
US-20040102437-A1 Nitrogen-containing compounds having kinase inhibitory activity and drugs containing the same KYOWA HAKKO KIRIN CO., LTD. (JP) 2004-05-27 US disclosed
EP-1256574-A1 NITROGEN-CONTAINING COMPOUNDS HAVING KINASE INHIBITORY ACTIVITY AND DRUGS CONTAINING THE SAME KIRIN BEER KABUSHIKI KAISHA (JP) 2002-11-13 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-20040102437-A1 Nitrogen-containing compounds having kinase inhibitory activity and drugs containing the same TNK2, ROCK1, ROCK2 HTT 1990/4885KMT2A 1473/4885MEN1 2126/4885

“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.