SCHEMBL1612230

SCHEMBL1612230

CCn1cnc2c(N3CCOCC3C)nc(Cl)nc21

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MTOR P42345 14/20 0.57
PIK3CD O00329 3/20 0.57
PIK3CA P42336 3/20 0.57
ATR Q13535 6/20 0.45
CHEK1 O14757 3/20 0.40
CNR2 P34972 1/20 0.38
ATM Q13315 1/20 0.37
PIK3R1 P27986 1/20 0.37
PIK3CB P42338 1/20 0.37
PIK3CG P48736 1/20 0.37
RICTOR Q6R327 1/20 0.37
RPTOR Q8N122 1/20 0.37
PIK3C3 Q8NEB9 1/20 0.37
MAPKAP1 Q9BPZ7 1/20 0.37
MLST8 Q9BVC4 1/20 0.37

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
SCHEMBL25235943 1.00 MTOR (0.57) MTORPIK3CDPIK3CAATRCHEK1
SCHEMBL799324 1.00 MTOR (0.57) MTORPIK3CDPIK3CAATRCHEK1
SCHEMBL336242 0.89 MTOR (0.47) MTORPIK3CDPIK3CAATRCHEK1
SCHEMBL336286 0.88 MTOR (0.48) MTORPIK3CDPIK3CAATRCHEK1
SCHEMBL336421 0.88 MTOR (0.48) MTORPIK3CDPIK3CAATRCHEK1
SCHEMBL25230270 0.86 MTOR (0.46) MTORPIK3CDPIK3CACNR2
SCHEMBL25275340 0.86 MTOR (0.46) MTORPIK3CDPIK3CACNR2
SCHEMBL25275341 0.86 MTOR (0.46) MTORPIK3CDPIK3CACNR2
SCHEMBL1611443 0.85 MTOR (0.53) MTORPIK3CDPIK3CAATRCHEK1
SCHEMBL2673181 0.85 MTOR (0.53) MTORPIK3CDPIK3CAATRCHEK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250353851-A1 PURINES AND METHODS OF THEIR USE KINETA INC (US) 2025-11-20 US disclosed
EP-4444312-A2 PURINES AND METHODS OF THEIR USE Kineta, Inc. (US) 2024-10-16 EP disclosed
WO-2023107552-A2 PURINES AND METHODS OF THEIR USE Kineta, Inc. (US) 2023-06-15 WO disclosed
EP-2498780-B1 N-9-SUBSTITUTED PURINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE HOFFMANN LA ROCHE (CH) 2016-09-07 EP disclosed
US-8288381-B2 N-9 substituted purine compounds, compositions and methods of use GENENTECH, INC. (US) 2012-10-16 US disclosed
US-20110086841-A1 N-9 SUBSTITUTED PURINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE GENENTECH, INC. (US) 2011-04-14 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 (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-20110086841-A1 N-9 SUBSTITUTED PURINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE ADORA3, ADORA2A, ADORA2B MTOR 3111/4885PIK3CD 2190/4885PIK3CA 1026/4885
US-20250353851-A1 PURINES AND METHODS OF THEIR USE TDP1, TDP2, PIKFYVE MTOR 626/4885PIK3CD 138/4885PIK3CA 132/4885

“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.