SCHEMBL20507210

SCHEMBL20507210

Cc1c(-c2ccno2)cnn1C

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.42
▸ ALDH1A1 P00352 3/20 0.42
▸ GAA P10253 2/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ CYP11B2 P19099 1/20 0.42
▸ POLB P06746 1/20 0.37
▸ APOBEC3A P31941 1/20 0.37
▸ EPHX2 P34913 1/20 0.37
▸ CREBBP Q92793 1/20 0.36
▸ BRD4 O60885 2/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ CYP1A2 P05177 2/20 0.36
▸ CYP19A1 P11511 2/20 0.36
▸ CYP2C9 P11712 2/20 0.36
▸ CYP2C19 P33261 2/20 0.36
▸ NOTUM Q6P988 1/20 0.35
▸ MAP3K7 O43318 1/20 0.33
▸ KDR P35968 1/20 0.33
▸ TAB1 Q15750 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
SCHEMBL22952411 0.78 NPC1 (0.37) KDM4EALDH1A1GAASMN1; SMN2CYP11B2
SCHEMBL21233157 0.73 CYP11B2 (0.40) KDM4EALDH1A1GAASMN1; SMN2CYP11B2
SCHEMBL10054039 0.71 HTT (0.42) KDM4EALDH1A1GAACYP11B2POLB
SCHEMBL21233345 0.71 KDM4E (0.44) KDM4EALDH1A1GAASMN1; SMN2CYP11B2
SCHEMBL21233155 0.69 LMNA (0.43) KDM4EALDH1A1GAACYP11B2POLB
SCHEMBL21233174 0.68 ALDH1A1 (0.39) KDM4EALDH1A1GAASMN1; SMN2POLB
SCHEMBL21233161 0.68 CYP11B2 (0.39) KDM4EALDH1A1GAASMN1; SMN2CYP11B2
SCHEMBL10022363 0.67 HTT (0.39) KDM4EALDH1A1GAACYP11B2POLB
SCHEMBL12651134 0.67 CYP11B2 (0.62) KDM4EALDH1A1SMN1; SMN2CYP11B2POLB
SCHEMBL14125002 0.66 NOTUM (0.56) KDM4EALDH1A1GAASMN1; SMN2EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180273906-A1 MICROVESICLE AND STEM CELL COMPOSITIONS FOR THERAPEUTIC APPLICATIONS IPS HEART 2018-09-27 — — US claimed
US-20210054344-A1 CPC EXOSOMES MIRNA373 COMBINATION THERAPIES IPS HEART 2021-02-25 — — US disclosed
WO-2019149260-A1 PYRIDAZINOL COMPOUND, DERIVATIVE THEREOF, PREPARATION METHOD THEREFOR, HERBICIDAL COMPOSITION AND USE THEREOF 青岛清原化合物有限公司 2019-08-08 — — WO disclosed
WO-2019148851-A1 FIVE-MEMBERED RING-SUBSTITUTED PYRIDAZINOL COMPOUND AND DERIVATIVES THEREOF, PREPARATION METHOD, HERBICIDAL COMPOSITION, AND APPLICATION 青岛清原化合物有限公司 2019-08-08 — — WO disclosed
US-20180273906-A1 MICROVESICLE AND STEM CELL COMPOSITIONS FOR THERAPEUTIC APPLICATIONS IPS HEART 2018-09-27 — — 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-20180273906-A1 MICROVESICLE AND STEM CELL COMPOSITIONS FOR THERAPEUTIC APPLICATIONS EXOSC9, EXOSC5, EXOSC4 KDM4E 3444/4885ALDH1A1 493/4885GAA 562/4885
US-20210054344-A1 CPC EXOSOMES MIRNA373 COMBINATION THERAPIES EXOSC5, UTRN, EXOSC4 KDM4E 1946/4885ALDH1A1 2324/4885GAA 3034/4885

“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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