SCHEMBL6305014

SCHEMBL6305014

CC1(C)Cc2[nH]cc(C(=O)Nc3cnccn3)c2-c2nccn21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
NPC1 O15118 4/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
KMT2A Q03164 2/20 0.36
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.34
TSHR P16473 2/20 0.34
SIRT2 Q8IXJ6 1/20 0.34
TRPV4 Q9HBA0 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA4 P43681 1/20 0.33
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.32

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
SCHEMBL6302313 0.86 PTPN11 (0.42) RAB9ASMN1; SMN2NPC1TP53KMT2A
SCHEMBL6309294 0.84 NAMPT (0.45) RAB9ASMN1; SMN2NPC1MAPTKMT2A
SCHEMBL6309344 0.84 TYK2 (0.40) RAB9ASMN1; SMN2NPC1KMT2ALMNA
SCHEMBL6309571 0.83 ROCK2 (0.31) RAB9ANPC1ALDH1A1LMNASIRT2
SCHEMBL6302498 0.80 MAPT (0.42) RAB9ASMN1; SMN2NPC1TP53MAPT
SCHEMBL6309965 0.79
SCHEMBL6302502 0.79 MAP2K1 (0.38) SMN1; SMN2MAPTKMT2ALMNAKDM4E
SCHEMBL6310478 0.78 KMT2A (0.38) RAB9ASMN1; SMN2NPC1TP53MAPT
SCHEMBL6309856 0.78 RAB9A (0.36) RAB9ASMN1; SMN2NPC1TP53MAPT
SCHEMBL6303010 0.78 RAB9A (0.36) RAB9ASMN1; SMN2NPC1TP53MAPT

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-20040110778-A1 Heterocyclic compounds as ligands of the GABAA receptor YOHANNES DANIEL (US) 2004-06-10 US claimed
US-20030105081-A1 Heterocyclic compounds as ligands of the GABAA receptor PFIZER INC 2003-06-05 US claimed
US-6949562-B2 Heterocyclic compounds as ligands of the GABAA receptor NEUROGEN CORPORATION (US) 2005-09-27 US disclosed
US-6653471-B2 Tricyclic heteroaromatic compounds containing pyrrole ring; central nervous system disorder treatment; side effect reduction NEUROGEN CORPORATION 2003-11-25 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 (2 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-20030105081-A1 Heterocyclic compounds as ligands of the GABAA receptor GABRB1, GABRP, GABRA1 RAB9A 962/4885SMN1; SMN2 3794/4885NPC1 1561/4885
US-20040110778-A1 Heterocyclic compounds as ligands of the GABAA receptor GABRB1, GABRP, GABRA1 RAB9A 962/4885SMN1; SMN2 3794/4885NPC1 1561/4885

“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.