SCHEMBL19893772

SCHEMBL19893772

COc1ccncc1.OBO

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 4/20 0.54
▸ SMN1; SMN2 Q16637 3/20 0.54
▸ KDM4E B2RXH2 3/20 0.54
▸ NPC1 O15118 3/20 0.54
▸ CYP2C9 P11712 2/20 0.54
▸ CYP2C19 P33261 2/20 0.54
▸ CYP2D6 P10635 2/20 0.54
▸ RAB9A P51151 2/20 0.54
▸ CYP3A4 P08684 1/20 0.54
▸ HPGD P15428 1/20 0.54
▸ LMNA P02545 2/20 0.52
▸ CA12 O43570 1/20 0.48
▸ CA1 P00915 1/20 0.48
▸ CA2 P00918 1/20 0.48
▸ CA7 P43166 1/20 0.48
▸ CA9 Q16790 1/20 0.48
▸ CA14 Q9ULX7 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.47
▸ USP2 O75604 1/20 0.46
▸ CYP1A1 P04798 2/20 0.45

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
SCHEMBL8213963 0.89 CYP1A2 (0.62) CYP1A2SMN1; SMN2KDM4ENPC1CYP2C9
SCHEMBL61315 0.89 — —
Ammonia Solution, Strong SCHEMBL28161848 0.87 — —
Hydroxyl Radical SCHEMBL28261927 0.87 — —
Hydrochloric Acid SCHEMBL27929151 0.87 — —
SCHEMBL29452963 0.87 — —
Potassium SCHEMBL30601771 0.87 — —
Water SCHEMBL28135826 0.84 CYP1A2 (0.58) CYP1A2SMN1; SMN2KDM4ENPC1CYP2C9
Cyanide SCHEMBL28083497 0.82 CYP1A2 (0.56) CYP1A2SMN1; SMN2KDM4ENPC1CYP2C9
Formaldehyde SCHEMBL28333125 0.82 CYP1A2 (0.56) CYP1A2SMN1; SMN2KDM4ENPC1CYP2C9

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
EP-3287459-B1 PURINYL-N-HYDROXYL PYRIMIDINE FORMAMIDE DERIVATIVES, PREPARATION METHOD THEREFOR AND USE THEREOF GUIZHOU BAILING GROUP PHARMACEUTICAL CO LTD (CN) 2020-09-02 — — EP disclosed
US-10227347-B2 Purinyl-N-hydroxyl pyrimidine formamide derivative, preparation methods and uses thereof GUIZHOU BAILING GROUP PHARMACEUTICAL CO., LTD. (CN) 2019-03-12 — — US disclosed
US-20180134709-A1 PURINYL-N-HYDROXYL PYRIMIDINE FORMAMIDE DERIVATIVE, PREPARATION METHODS AND USES THEREOF CHENGDU ZENITAR BIOMEDICAL TECHNOLOGY CO., LTD. (CN) 2018-05-17 — — US disclosed
EP-3287459-A1 PURINYL-N-HYDROXYL PYRIMIDINE FORMAMIDE DERIVATIVES, PREPARATION METHOD THEREFOR AND USE THEREOF Guizhou Bailing Enterprise Group Pharmaceutical Co., Ltd. (CN) 2018-02-28 — — EP 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-20180134709-A1 PURINYL-N-HYDROXYL PYRIMIDINE FORMAMIDE DERIVATIVE, PREPARATION METHODS AND USES THEREOF HDAC5, HDAC2, HDAC8 CYP1A2 2230/4885SMN1; SMN2 4515/4885KDM4E 428/4885
US-10227347-B2 Purinyl-N-hydroxyl pyrimidine formamide derivative, preparation methods and uses thereof HDAC5, HDAC2, HDAC8 CYP1A2 2230/4885SMN1; SMN2 4515/4885KDM4E 428/4885

“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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