SCHEMBL21266832

SCHEMBL21266832

COc1cc(OC)cc(-c2nc(Cl)cn(C)c2=O)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 4/20 0.40
▸ CYP1B1 Q16678 5/20 0.40
▸ CYP1A1 P04798 4/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP2E1 P05181 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2C8 P10632 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ CYP2A6 P11509 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP4B1 P13584 1/20 0.40
▸ CYP2B6 P20813 1/20 0.40
▸ CYP3A5 P20815 1/20 0.40
▸ CYP2A7 P20853 1/20 0.40
▸ CYP3A7 P24462 1/20 0.40
▸ CYP2F1 P24903 1/20 0.40
▸ CYP2C18 P33260 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ CYP2J2 P51589 1/20 0.40
▸ CYP4F2 P78329 1/20 0.40

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
SCHEMBL21266720 0.91 CYP1A1 (0.37) BRD4CYP1B1CYP1A1CYP1A2CYP2E1
SCHEMBL21266723 0.79 ALDH1A1 (0.41) CYP1A2CYP3A4FGFR1FGFR2FGFR4
SCHEMBL21266722 0.78 CYP1A2 (0.40) BRD4CYP1A2CYP3A4BRD9ALDH1A1
SCHEMBL21266744 0.73 BRD4 (0.34) BRD4CYP1B1CYP1A1CYP1A2CYP2E1
SCHEMBL21266733 0.71 FGFR2 (0.49) FGFR1FGFR2FGFR4FGFR3
SCHEMBL15413109 0.69 CYP1A2 (0.58) CYP1A2CYP3A4CYP2C9FGFR4ALDH1A1
SCHEMBL859740 0.67 BRD4 (0.39) BRD4ALDH1A1GAAHPGDSMN1; SMN2
SCHEMBL13074741 0.65 BRD4 (0.41) BRD4CYP1A2ALDH1A1GAAHPGD
SCHEMBL13058495 0.65 BRD4 (0.35) BRD4ALDH1A1GAAHPGDSMN1; SMN2
SCHEMBL15618343 0.65 CASP3 (0.48) CYP1B1CYP1A1CYP1A2CYP2E1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4011869-B1 CRYSTAL FORM D OF PYRAZINE-2(1H)-KETONE COMPOUND AND PREPARATION METHOD THEREFOR ZHANGZHOU PIEN TZE HUANG PHARM (CN) 2023-11-15 — — EP disclosed
EP-4011867-B1 CRYSTAL FORMS C AND E OF PYRAZIN-2(1H)-ONE COMPOUND AND PREPARATION METHOD THEREFOR ZHANGZHOU PIEN TZE HUANG PHARM (CN) 2023-08-23 — — EP disclosed
EP-4011866-B1 CRYSTALLINE FORM A AND CRYSTALLINE FORM B OF PYRAZINE-2(1H)-KETONE COMPOUND AND PREPARATION METHOD THEREOF ZHANGZHOU PIEN TZE HUANG PHARM (CN) 2023-07-26 — — EP disclosed
US-11680061-B2 Crystal forms C and E of pyrazin-2(1H)-one compound and preparation method therefor ZHANGZHOU PIEN TZE HUANG PHARMACEUTICAL CO., LTD. (CN) 2023-06-20 — — US disclosed
US-11680061-B2 Crystal forms C and E of pyrazin-2(1H)-one compound and preparation method therefor ZHANGZHOU PIEN TZE HUANG PHARMACEUTICAL CO., LTD. (CN) 2023-06-20 — — US disclosed
US-11535609-B2 Pyrazine-2(1H)-ketone compound preparation method ZHANGZHOU PIEN TZE HUANG PHARMACEUTICAL CO., LTD. (CN) 2022-12-27 — — US disclosed
EP-3750880-B1 PYRAZINE-2(1H)-KETONE COMPOUND ACTING AS FGFR INHIBITOR ZHANGZHOU PIEN TZE HUANG PHARM (CN) 2022-12-21 — — EP disclosed
EP-4011869-A1 CRYSTAL FORM D OF PYRAZINE-2(1H)-KETONE COMPOUND AND PREPARATION METHOD THEREFOR Zhangzhou Pien Tze Huang Pharmaceutical Co., Ltd (CN) 2022-06-15 — — EP disclosed
EP-4011867-A1 CRYSTAL FORMS C AND E OF PYRAZIN-2(1H)-ONE COMPOUND AND PREPARATION METHOD THEREFOR Zhangzhou Pien Tze Huang Pharmaceutical Co., Ltd (CN) 2022-06-15 — — EP disclosed
EP-4011868-A1 PYRAZINE-2(1H)-KETONE COMPOUND PREPARATION METHOD Zhangzhou Pien Tze Huang Pharmaceutical Co., Ltd (CN) 2022-06-15 — — EP disclosed
EP-4011866-A1 A CRYSTALLINE FORM AND B CRYSTALLINE FORM OF PYRAZINE-2(1H)-KETONE COMPOUND AND PREPARATION METHOD THEREOF Zhangzhou Pien Tze Huang Pharmaceutical Co., Ltd (CN) 2022-06-15 — — EP disclosed
US-11286248-B2 Pyrazine-2(1H)-ketone compound acting as FGFR inhibitor ZHANGZHOU PIEN TZE HUANG PHARMACEUTICAL CO., LTD. (CN) 2022-03-29 — — US disclosed
US-20210040070-A1 PYRAZINE-2(1H)-KETONE COMPOUND ACTING AS FGFR INHIBITOR ZHANGZHOU PIEN TZE HUANG PHARMACEUTICAL CO., LTD. (CN) 2021-02-11 — — US disclosed
WO-2021023194-A1 CRYSTAL FORMS C AND E OF PYRAZIN-2(1H)-ONE COMPOUND AND PREPARATION METHOD THEREFOR 漳州片仔癀药业股份有限公司 2021-02-11 — — WO disclosed
WO-2021023192-A1 A CRYSTALLINE FORM AND B CRYSTALLINE FORM OF PYRAZINE-2(1H)-KETONE COMPOUND AND PREPARATION METHOD THEREOF 漳州片仔癀药业股份有限公司 2021-02-11 — — WO disclosed
WO-2021023193-A1 PYRAZINE-2(1H)-KETONE COMPOUND PREPARATION METHOD 漳州片仔癀药业股份有限公司 2021-02-11 — — WO disclosed
WO-2021023195-A1 CRYSTAL FORM D OF PYRAZINE-2(1H)-KETONE COMPOUND AND PREPARATION METHOD THEREFOR 漳州片仔癀药业股份有限公司 2021-02-11 — — WO disclosed
EP-3750880-A1 PYRAZINE-2(1H)-KETONE COMPOUND ACTING AS FGFR INHIBITOR Zhangzhou Pien Tze Huang Pharmaceutical Co., Ltd (CN) 2020-12-16 — — EP disclosed
WO-2019154364-A1 PYRAZINE-2(1H)-KETONE COMPOUND ACTING AS FGFR INHIBITOR 南京明德新药研发有限公司 2019-08-15 — — WO 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 (4 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-11535609-B2 Pyrazine-2(1H)-ketone compound preparation method PDK2, HSD17B7, CYP2F1 BRD4 1087/4885CYP1B1 36/4885CYP1A1 93/4885
US-20210040070-A1 PYRAZINE-2(1H)-KETONE COMPOUND ACTING AS FGFR INHIBITOR FGFR1, FGFR2, FGFR3 BRD4 658/4885CYP1B1 448/4885CYP1A1 1388/4885
US-11680061-B2 Crystal forms C and E of pyrazin-2(1H)-one compound and preparation method therefor WEE2, WEE1, CYP4F11 BRD4 3690/4885CYP1B1 27/4885CYP1A1 150/4885
US-11286248-B2 Pyrazine-2(1H)-ketone compound acting as FGFR inhibitor FGFR1, FGFR2, FGFR3 BRD4 658/4885CYP1B1 448/4885CYP1A1 1388/4885

“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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