SCHEMBL5638178

SCHEMBL5638178

COc1ccc(NC(=O)Nc2ccncc2)cc1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.79
RAB9A P51151 5/20 0.79
NPC1 O15118 3/20 0.79
KDM4E B2RXH2 4/20 0.69
ALDH1A1 P00352 2/20 0.69
MAPT P10636 5/20 0.68
MDM2 Q00987 1/20 0.68
POLB P06746 4/20 0.66
MEN1 O00255 4/20 0.66
KMT2A Q03164 4/20 0.66
MAPK1 P28482 1/20 0.66
HTT P42858 1/20 0.66
RAF1 P04049 1/20 0.65
SAE1 Q9UBE0 1/20 0.65
UBA2 Q9UBT2 1/20 0.65
TP53 P04637 4/20 0.63
TSHR P16473 3/20 0.63
ESR2 Q92731 1/20 0.63
NOX1 Q9Y5S8 1/20 0.63
LMNA P02545 2/20 0.61

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
SCHEMBL11092496 0.89 RAB9A (1.00) SMN1; SMN2RAB9ANPC1KDM4EMAPT
SCHEMBL31668740 0.84 MDM2 (0.95) SMN1; SMN2RAB9AKDM4EALDH1A1MAPT
SCHEMBL17628550 0.83 RAB9A (0.88) SMN1; SMN2RAB9ANPC1KDM4EMAPT
SCHEMBL11617361 0.83 NAMPT (0.85) SMN1; SMN2RAB9ANPC1ALDH1A1HTT
SCHEMBL3270932 0.83 RAB9A (0.77) SMN1; SMN2RAB9ANPC1KDM4EALDH1A1
SCHEMBL3271513 0.83 RAB9A (0.77) SMN1; SMN2RAB9ANPC1KDM4EALDH1A1
SCHEMBL10020286 0.82 MDM2 (1.00) SMN1; SMN2RAB9AKDM4EALDH1A1MAPT
SCHEMBL11615821 0.82 NAMPT (0.64) SMN1; SMN2RAB9ANPC1KDM4EALDH1A1
SCHEMBL11106394 0.81 RAB9A (0.85) SMN1; SMN2RAB9ANPC1KDM4EALDH1A1
SCHEMBL1897292 0.81 RAB9A (0.85) SMN1; SMN2RAB9ANPC1KDM4EMAPT

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 SMN1; SMN2 4516/4885RAB9A 593/4885NPC1 2205/4885

“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.