SCHEMBL2849004

SCHEMBL2849004

Cc1ccc(N2c3cc(N)c(C)cc3Nc3cc(C)c(Nc4ccccc4)cc32)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 10/20 0.40
MAPT P10636 8/20 0.40
TDP1 Q9NUW8 1/20 0.40
KDM4E B2RXH2 7/20 0.39
ALDH1A1 P00352 5/20 0.39
NPC1 O15118 3/20 0.39
HPGD P15428 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
RAB9A P51151 2/20 0.39
MCL1 Q07820 1/20 0.39
GNG2 P59768 1/20 0.38
GNB1 P62873 1/20 0.38
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
LMNA P02545 3/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
MAPK1 P28482 1/20 0.36
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34

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
SCHEMBL114129 0.81 KDM4E (0.43) GAAMAPTKDM4EALDH1A1NPC1
Hydrochloric Acid SCHEMBL27752560 0.79 KDM4E (0.42) GAAMAPTTDP1KDM4EALDH1A1
Hydrochloric Acid SCHEMBL30431952 0.79 KDM4E (0.42) GAAMAPTTDP1KDM4EALDH1A1
SCHEMBL863274 0.79 ALDH1A1 (0.43) GAAMAPTTDP1KDM4EALDH1A1
SCHEMBL5134183 0.79 ALDH1A1 (0.43) GAAMAPTTDP1KDM4EALDH1A1
Sulfuric Acid SCHEMBL4915014 0.73 KDM4E (0.41) GAAMAPTTDP1KDM4EALDH1A1
SCHEMBL863067 0.72 GNG2 (0.40) MAPTKDM4EALDH1A1NPC1RAB9A
SCHEMBL11207588 0.72 MAPT (0.53) GAAMAPTTDP1KDM4EALDH1A1
SCHEMBL30641702 0.72 MAPT (0.53) GAAMAPTTDP1KDM4EALDH1A1
SCHEMBL10048542 0.70 APAF1 (0.41) MAPTKDM4EALDH1A1GNG2GNB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100130505-A1 COMPOSITIONS AND METHODS FOR INHIBITING G PROTEIN SIGNALING UNIVERSITY OF ROCHESTER (US) 2010-05-27 US claimed
US-8975259-B2 Compositions and methods for inhibiting G protein signaling UNIVERSITY OF ROCHESTER (US) 2015-03-10 US disclosed
US-20100130505-A1 COMPOSITIONS AND METHODS FOR INHIBITING G PROTEIN SIGNALING UNIVERSITY OF ROCHESTER (US) 2010-05-27 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-20100130505-A1 COMPOSITIONS AND METHODS FOR INHIBITING G PROTEIN SIGNALING GNAI1, GNAI3, GNAI2 GAA 1115/4885MAPT 3637/4885TDP1 3620/4885

“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.