SCHEMBL798765

SCHEMBL798765

CC(C)c1cnc2nc(C(C)C)nn2c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
KDM4E B2RXH2 1/20 0.33
MAP4K4 O95819 1/20 0.32
PAK4 O96013 1/20 0.32
CSF1R P07333 1/20 0.32
RET P07949 1/20 0.32
GRK5 P34947 1/20 0.32
MAPK8 P45983 1/20 0.32
CSNK1A1 P48729 1/20 0.32
ACVR1 Q04771 1/20 0.32
PTK2 Q05397 1/20 0.32
TYRO3 Q06418 1/20 0.32
MAP4K2 Q12851 1/20 0.32
DYRK1A Q13627 1/20 0.32
IKBKE Q14164 1/20 0.32
CLK4 Q9HAZ1 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
SCHEMBL25825609 0.82 AKT1 (0.34) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL25829677 0.78 NPC1 (0.43) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL798727 0.70 NPC1 (0.36) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL18159247 0.70 PDE10A (0.38) MAP4K4
SCHEMBL12091358 0.69 NPC1 (0.42) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL798899 0.67 KDM5B (0.33)
SCHEMBL13086734 0.66 NPC1 (0.36) NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL13086751 0.64 NAMPT (0.34)
SCHEMBL26859104 0.64 SMN1; SMN2 (0.53) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL2757603 0.64 APLNR (0.36) NPC1RAB9ASMN1; 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230219927-A1 AKT3 MODULATORS Georgiamune Inc. 2023-07-13 US disclosed
US-20230219927-A1 AKT3 MODULATORS Georgiamune Inc. 2023-07-13 US disclosed
US-20230183226-A1 AKT3 MODULATORS Georgiamune Inc. 2023-06-15 US disclosed
US-20120071475-A1 UREA DERIVATIVES HAVING PI3K-INHIBITING ACTIVITY SHIONOGI & CO., LTD. (JP) 2012-03-22 US disclosed
US-20100261679-A1 CSF-1R, Inhibitors, Compositions, and Methods of Use NOVARTIS AG (CH) 2010-10-14 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 (4 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-20230183226-A1 AKT3 MODULATORS AKT3, AKT2, MTOR NPC1 1175/4885RAB9A 1375/4885MEN1 1948/4885
US-20230219927-A1 AKT3 MODULATORS AKT3, AKT2, PIK3CA NPC1 901/4885RAB9A 1255/4885MEN1 1172/4885
US-20100261679-A1 CSF-1R, Inhibitors, Compositions, and Methods of Use CSF1R, CSF3R, MSR1 NPC1 2134/4885RAB9A 1150/4885MEN1 400/4885
US-20120071475-A1 UREA DERIVATIVES HAVING PI3K-INHIBITING ACTIVITY MTOR, STAT3, SLC14A1 NPC1 1283/4885RAB9A 1096/4885MEN1 2694/4885

“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.