SCHEMBL17549902

SCHEMBL17549902

CC1(C)O[C@@H]2[C@@H](CO)C[C@@H](n3cc(C(F)(F)F)c4c(Cl)ncnc43)[C@@H]2O1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HTR2B P41595 6/20 0.38
▸ SIGMAR1 Q99720 4/20 0.38
▸ TMEM97 Q5BJF2 3/20 0.35
▸ HTR1D P28221 1/20 0.35
▸ ADK P55263 8/20 0.34
▸ SLC29A1 Q99808 1/20 0.34
▸ OPRK1 P41145 2/20 0.34
▸ ADRA2C P18825 1/20 0.34
▸ HTR6 P50406 1/20 0.34
▸ PI4KA P42356 1/20 0.33
▸ PI4K2B Q8TCG2 1/20 0.33
▸ PI4K2A Q9BTU6 1/20 0.33
▸ PI4KB Q9UBF8 1/20 0.33
▸ AHCY P23526 1/20 0.30
▸ ADORA2B P29275 1/20 0.30

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
SCHEMBL17549901 0.90 HTR2B (0.33) HTR2BSIGMAR1TMEM97HTR1DADK
SCHEMBL25048010 0.86 ADK (0.45) ADKSLC29A1PI4KAPI4K2BPI4K2A
SCHEMBL30941168 0.85 ADK (0.46) ADKSLC29A1PI4KAPI4K2BPI4K2A
SCHEMBL18297616 0.85 ADK (0.49) ADKSLC29A1PI4KAPI4K2BPI4K2A
SCHEMBL17549903 0.83 HTR2B (0.31) HTR2BSIGMAR1ADK
SCHEMBL17549888 0.83 HTR2B (0.31) HTR2BSIGMAR1ADKAHCY
SCHEMBL17549898 0.80 PRMT5 (0.38) ADKPI4KAPI4K2BPI4K2API4KB
SCHEMBL5318875 0.78 PI4KA (0.47) PI4KAPI4K2BPI4K2API4KBAHCY
SCHEMBL17889809 0.78 PI4KA (0.47) PI4KAPI4K2BPI4K2API4KBAHCY
SCHEMBL5319686 0.78 PI4KA (0.47) PI4KAPI4K2BPI4K2API4KBAHCY

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-9458165-B2 DOT1L inhibitors DANA-FARBER CANCER INSTITUTE, INC. (US) 2016-10-04 — — US disclosed
US-9458165-B2 DOT1L inhibitors DANA-FARBER CANCER INSTITUTE, INC. (US) 2016-10-04 — — US disclosed
US-20160060269-A1 DOT1L Inhibitors DANA-FARBER CANCER INSTITUTE, INC. 2016-03-03 — — US disclosed
US-20160060269-A1 DOT1L Inhibitors DANA-FARBER CANCER INSTITUTE, INC. 2016-03-03 — — 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-20160060269-A1 DOT1L Inhibitors DOT1L, MAP1LC3B, MAP1LC3A HTR2B 4616/4885SIGMAR1 4455/4885TMEM97 1316/4885

“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.

Send feedback