SCHEMBL4986944

SCHEMBL4986944

CC(C)(C(=O)Nc1ncnc2c1CCN(Cc1ccc(F)cc1)C2)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.42
ALOX5 P09917 3/20 0.40
EPHX2 P34913 3/20 0.40
ALDH1A1 P00352 3/20 0.38
TP53 P04637 1/20 0.38
CFTR P13569 2/20 0.37
LMNA P02545 2/20 0.36
KDM4E B2RXH2 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
PKM P14618 1/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 2/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
TNF P01375 1/20 0.36
NOD2 Q9HC29 1/20 0.36
NOD1 Q9Y239 1/20 0.36
THRB P10828 2/20 0.35
MKNK1 Q9BUB5 2/20 0.35
USP2 O75604 1/20 0.35

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
SCHEMBL4985286 0.91 KMT2A (0.43) TSHREPHX2ALDH1A1KDM4ESMN1; SMN2
SCHEMBL4991957 0.88 TSHR (0.38) TSHRALDH1A1GRM2
SCHEMBL14272512 0.87 TSHR (0.56) TSHRALOX5EPHX2ALDH1A1TP53
SCHEMBL5016784 0.86 TSHR (0.39) TSHRALDH1A1KDM4EHTTKMT2A
SCHEMBL4989594 0.85 KMT2A (0.40) TSHRALDH1A1TP53LMNASMN1; SMN2
SCHEMBL4985252 0.85 KMT2A (0.39) TSHRALDH1A1TP53LMNAKDM4E
SCHEMBL4985505 0.85 FAAH (0.38) TSHRALDH1A1KDM4ESMN1; SMN2RAB9A
SCHEMBL4982679 0.84 TSHR (0.43) TSHRALOX5EPHX2ALDH1A1LMNA
SCHEMBL5141473 0.84 TSHR (0.41) TSHRALDH1A1TP53LMNAKDM4E
SCHEMBL4989569 0.82 ALDH1A1 (0.40) EPHX2ALDH1A1TP53KDM4ESMN1; SMN2

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 TSHR 3850/4885ALOX5 593/4885EPHX2 569/4885

“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.