SCHEMBL856262

SCHEMBL856262

CC(C)c1ccc(NCc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.41
KDM4E B2RXH2 2/20 0.40
GAA P10253 2/20 0.40
MAPT P10636 2/20 0.40
ALOX15 P16050 2/20 0.40
ALOX12 P18054 2/20 0.40
MAPK1 P28482 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
ALDH1A1 P00352 1/20 0.40
PDE2A O00408 1/20 0.40
FFAR1 O14842 2/20 0.39
ADRA2A P08913 1/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
POLB P06746 1/20 0.38
EPHB4 P54760 1/20 0.38
TEK Q02763 1/20 0.38
PDE9A O76083 2/20 0.38

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
SCHEMBL854987 0.84 NPBWR1 (0.46) KDM4EGAAMAPTALOX15ALOX12
SCHEMBL24208605 0.81 TEK (0.46) KDM4EMAPTL3MBTL1ALDH1A1EPHB4
SCHEMBL855311 0.81 FFAR1 (0.55) PTGDR2KDM4EGAAMAPTALOX15
SCHEMBL854697 0.79 JAK3 (0.47) KDM4EGAAMAPTALOX15ALOX12
SCHEMBL25583711 0.75 TEK (0.47) KDM4EMAPTL3MBTL1ALDH1A1EPHB4
SCHEMBL855917 0.73 NPC1 (0.39) KDM4EGAAMAPTALOX15ALOX12
SCHEMBL856389 0.73 NPC1 (0.40) KDM4EGAAMAPTALOX15ALOX12
SCHEMBL28116838 0.72 HSD17B10 (0.56) KDM4EGAAMAPTSMN1; SMN2TDP1
Hydrochloric Acid SCHEMBL28523096 0.71 EPHB4 (0.44) KDM4EMAPTMAPK1SMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL21492320 0.71 LMNA (0.48) KDM4EMAPTALDH1A1EPHB4TEK

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
EP-1308438-B9 3-SUBSTITUTED UREA DERIVATIVES AND MEDICINAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2012-03-28 EP disclosed
EP-1308438-B1 3-SUBSTITUTED UREA DERIVATIVES AND MEDICINAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2010-10-20 EP disclosed
US-7105567-B2 3-substituted urea derivatives and medicinal use thereof MITSUBISHI PHARMA CORPORATION (JP) 2006-09-12 US disclosed
US-20030207939-A1 Novel 3-substituted urea derivatives and medicinal use thereof MITSUBISHI PHARMA CORPORATION (JP) 2003-11-06 US disclosed
EP-1308438-A1 3-SUBSTITUTED UREA DERIVATIVES AND MEDICINAL USE THEREOF Mitsubishi Pharma Corporation (JP) 2003-05-07 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-20030207939-A1 Novel 3-substituted urea derivatives and medicinal use thereof C5AR1, C5AR2, C3AR1 PTGDR2 2111/4885KDM4E 4450/4885GAA 3681/4885

“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.