SCHEMBL22970837

SCHEMBL22970837

c1cnc(Nc2cnccn2)c(N2CCOCC2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.48
▸ CYP1A2 P05177 1/20 0.48
▸ CYP3A4 P08684 1/20 0.48
▸ CYP2C9 P11712 1/20 0.48
▸ CYP2C19 P33261 1/20 0.48
▸ PIK3CA P42336 3/20 0.42
▸ PIK3CD O00329 1/20 0.42
▸ PIK3CB P42338 1/20 0.42
▸ MAPK1 P28482 2/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ NPC1 O15118 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ PDE10A Q9Y233 1/20 0.39
▸ LRRK2 Q5S007 2/20 0.39
▸ CHEK1 O14757 2/20 0.39
▸ MEN1 O00255 2/20 0.38

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
SCHEMBL28672740 0.76 ALDH1A1 (0.48) POLBMAPK1L3MBTL1TSHRNPC1
SCHEMBL28663676 0.76 ALDH1A1 (0.45) POLBCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL30206206 0.75 PLK4 (0.59) MAPK1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL22970766 0.74 MAPT (0.44) POLBCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL22971279 0.74 KARS1 (0.52) POLBCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL22971327 0.73 NPC1 (0.50) POLBNPC1RAB9A
SCHEMBL22970759 0.72 CDK4 (0.47) POLBCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL22970904 0.72 CDK4 (0.49) NPC1RAB9ASMN1; SMN2ALDH1A1CHEK1
SCHEMBL22970768 0.69 CHEK1 (0.65) CYP2C19PIK3CBNPC1RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL4903066 0.69 PIK3CA (0.46) POLBCYP1A2CYP3A4CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210038607-A1 OXADIAZOLYLTHIOPHENE DERIVATIVES USEFUL AS HISTONE DEACETYLASE INHIBITORS KARUS THERAPEUTICS LIMITED (GB) 2021-02-11 — — 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-20210038607-A1 OXADIAZOLYLTHIOPHENE DERIVATIVES USEFUL AS HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC5, HDAC3 POLB 2046/4885CYP1A2 2402/4885CYP3A4 1550/4885

“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.

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