SCHEMBL12936268

SCHEMBL12936268

COc1nc(N2CCN(C)CC2)nc(CO)c1Sc1cccc(N)c1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ADRA2C P18825 1/20 0.42
▸ HTR6 P50406 10/20 0.41
▸ DRD2 P14416 4/20 0.40
▸ HTR7 P34969 4/20 0.40
▸ HTR2A P28223 3/20 0.40
▸ HTR1A P08908 3/20 0.40
▸ HRH4 Q9H3N8 6/20 0.36
▸ HTR3A P46098 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ EGFR P00533 1/20 0.35

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
SCHEMBL1276351 0.90 ADRA2C (0.46) ADRA2CHTR6DRD2HTR7HTR2A
SCHEMBL18060648 0.78 PLK4 (0.46) MEN1KMT2A
SCHEMBL12806446 0.78 ADRA2C (0.49) ADRA2CHTR6DRD2HTR7HTR2A
SCHEMBL1276167 0.75 SMN1; SMN2 (0.44) DRD2MEN1KMT2AEGFR
SCHEMBL1275994 0.73 NPC1 (0.48) MEN1KMT2AEGFR
SCHEMBL12805704 0.73 HTR3A (0.46) ADRA2CHRH4HTR3AMEN1KMT2A
SCHEMBL12806277 0.71 HRH4 (0.49) HTR6HRH4MEN1KMT2A
SCHEMBL18084078 0.71 ADRA2C (0.39) ADRA2CHTR6DRD2HTR7HTR2A
SCHEMBL1275384 0.71 RAB9A (0.47) MEN1KMT2A
SCHEMBL12806084 0.71 UCHL3 (0.51) HTR1AEGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170165265-A1 HEAT SHOCK PROTEIN BINDING COMPOUNDS, COMPOSITIONS, AND METHODS FOR MAKING AND USING SAME MEMORIAL SLOAN-KETTERING CANCER CENTER 2017-06-15 — — US disclosed
US-9567318-B2 Substituted pyrimidine compounds and uses thereof MEMORIAL SLOAN-KETTERING CANCER CENTER (US) 2017-02-14 — — US disclosed
US-20120252818-A1 HEAT SHOCK PROTEIN BINDING COMPOUNDS, COMPOSITIONS, AND METHODS FOR MAKING AND USING SAME MEMORIAL SLOAN-KETTERING CANCER CENTER (US) 2012-10-04 — — 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-20170165265-A1 HEAT SHOCK PROTEIN BINDING COMPOUNDS, COMPOSITIONS, AND METHODS FOR MAKING AND USING SAME HSPBP1, HSF1, HSPA2 ADRA2C 3502/4885HTR6 1594/4885DRD2 4575/4885
US-20120252818-A1 HEAT SHOCK PROTEIN BINDING COMPOUNDS, COMPOSITIONS, AND METHODS FOR MAKING AND USING SAME HSPBP1, HSF1, HSPA2 ADRA2C 3502/4885HTR6 1594/4885DRD2 4575/4885

“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