SCHEMBL10240045

SCHEMBL10240045

CC(CO)(CO)C(=O)N1CCC(c2nc3c(-c4ccc(-c5ccc6c(c5)OCCO6)nc4)cnn3c(N)c2C=O)CC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 1/20 0.35
KDR P35968 2/20 0.34
BTK Q06187 3/20 0.33
LCK P06239 2/20 0.33
FYN P06241 2/20 0.33
RET P07949 2/20 0.33
ABL1 P00519 1/20 0.33
NTRK1 P04629 1/20 0.33
CSF1R P07333 1/20 0.33
PDGFRB P09619 1/20 0.33
PDGFRA P16234 1/20 0.33
FLT1 P17948 1/20 0.33
FLT3 P36888 1/20 0.33
CDK8 P49336 1/20 0.33
NEK2 P51955 1/20 0.33
TYRO3 Q06418 1/20 0.33
TNK2 Q07912 1/20 0.33
NTRK3 Q16288 1/20 0.33
NTRK2 Q16620 1/20 0.33
AURKB Q96GD4 1/20 0.33

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
SCHEMBL10240035 0.93 CYP11B2 (0.32) PIK3CACHEK1ALDH1A1NPC1RAB9A
SCHEMBL10234925 0.90 PIK3CA (0.35) PIK3CAKDRBTKLCKFYN
SCHEMBL10240146 0.88 MTOR (0.41) KDRRETCHEK1HPGDALDH1A1
SCHEMBL10240044 0.87 HSP90AA1 (0.37) PIK3CAKDRCHEK1CHEK2NPC1
SCHEMBL10238106 0.85 KDR (0.39) KDRBTKLCKFYNRET
SCHEMBL7886260 0.85 CHEK1 (0.40) KDRLCKRETNEK2CHEK1
SCHEMBL10240048 0.85 LCK (0.37) KDRLCKRETABL1NTRK1
SCHEMBL10240053 0.84 CHEK1 (0.34) KDRLCKRETCHEK1MTOR
SCHEMBL10240036 0.82 KDM4E (0.36) PIK3CANTRK1CHEK1ALDH1A1RAB9A
SCHEMBL10234909 0.82 DYRK1A (0.33) PIK3CAKDRLCKNTRK1FLT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120114739-A1 PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS MERCK SHARP & DOHME LLC 2012-05-10 US disclosed
US-20120114739-A1 PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS MERCK SHARP & DOHME LLC 2012-05-10 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-20120114739-A1 PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS MTOR, RICTOR, RPTOR PIK3CA 34/4885KDR 3315/4885BTK 914/4885

“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.