SCHEMBL4985286

SCHEMBL4985286

CC(C)(C(=O)Nc1ncnc2c1CCN(Cc1ccccc1)C2)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.43
ALDH1A1 P00352 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
KDM4E B2RXH2 1/20 0.43
NPC1 O15118 1/20 0.43
GAA P10253 1/20 0.43
MAPK1 P28482 1/20 0.43
RAB9A P51151 1/20 0.43
BRS3 P32247 4/20 0.42
TSHR P16473 2/20 0.41
MEN1 O00255 3/20 0.40
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40
HSD11B1 P28845 1/20 0.39
HTT P42858 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
PTPN2 P17706 1/20 0.38
PTPN1 P18031 1/20 0.38
EPHX1 P07099 1/20 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
SCHEMBL4986944 0.91 TSHR (0.42) KMT2AALDH1A1SMN1; SMN2KDM4ENPC1
SCHEMBL4985252 0.90 KMT2A (0.39) KMT2AALDH1A1SMN1; SMN2KDM4ENPC1
SCHEMBL4989569 0.89 ALDH1A1 (0.40) KMT2AALDH1A1SMN1; SMN2KDM4ENPC1
SCHEMBL5141473 0.89 TSHR (0.41) ALDH1A1KDM4EGAABRS3TSHR
SCHEMBL5016784 0.88 TSHR (0.39) KMT2AALDH1A1KDM4EMAPK1TSHR
SCHEMBL4982834 0.86 KMT2A (0.44) KMT2AALDH1A1SMN1; SMN2KDM4ENPC1
SCHEMBL5144610 0.86 HSD11B1 (0.43) KMT2AALDH1A1GAATSHRHSD11B1
SCHEMBL5145727 0.86 TSHR (0.57) KMT2AALDH1A1SMN1; SMN2TSHRMEN1
SCHEMBL4989594 0.85 KMT2A (0.40) KMT2AALDH1A1SMN1; SMN2NPC1GAA
SCHEMBL4985505 0.84 FAAH (0.38) KMT2AALDH1A1SMN1; SMN2KDM4ENPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080039478-A1 Bicycloheteroaryl Compounds as P2X7 Modulators and Uses Thereof RENOVIS, INC. 2008-02-14 US claimed
US-7297700-B2 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof RENOVIS, INC. (US) 2007-11-20 US claimed
US-20080039478-A1 Bicycloheteroaryl Compounds as P2X7 Modulators and Uses Thereof RENOVIS, INC. 2008-02-14 US disclosed
US-20080039478-A1 Bicycloheteroaryl Compounds as P2X7 Modulators and Uses Thereof RENOVIS, INC. 2008-02-14 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-20080039478-A1 Bicycloheteroaryl Compounds as P2X7 Modulators and Uses Thereof P2RX7, P2RX3, P2RX2 KMT2A 4614/4885ALDH1A1 3640/4885SMN1; SMN2 4369/4885

“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.