SCHEMBL22656720

SCHEMBL22656720

O=Cc1nc2cc(F)c(F)cc2[nH]1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
HPGD P15428 1/20 0.45
CYP2C19 P33261 1/20 0.45
HSD17B10 Q99714 1/20 0.45
MEN1 O00255 1/20 0.43
MAPT P10636 1/20 0.43
CACNA1B Q00975 1/20 0.43
APBA1 Q02410 1/20 0.43
KMT2A Q03164 1/20 0.43
MCL1 Q07820 1/20 0.43
ATM Q13315 1/20 0.43
CBFB Q13951 1/20 0.41
IKBKB O14920 3/20 0.39
CHUK O15111 3/20 0.39
AKT1 P31749 3/20 0.39

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
SCHEMBL23782268 0.86 MAPT (0.45) KDM4EALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL5118211 0.79 EGLN1 (0.42) KDM4EALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL29954586 0.78 ALPL (0.51) CBFBIKBKBCHUKAKT1AKT2
SCHEMBL22656517 0.78 KDM4E (0.40) KDM4EALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL1335316 0.78 ALPL (0.51) CBFBIKBKBCHUKAKT1AKT2
SCHEMBL22656695 0.77 ATM (0.72) KDM4EHSD17B10MEN1MAPTCACNA1B
SCHEMBL28511717 0.77 MAPT (0.43) KDM4EALDH1A1MEN1MAPTCACNA1B
SCHEMBL23782199 0.77 GAA (0.49) KDM4EMEN1MAPTCACNA1BAPBA1
SCHEMBL29467917 0.73 NPC1 (0.64) KDM4EALDH1A1HPGDMEN1MAPT
SCHEMBL1171206 0.73 ALDH1A1 (0.67) KDM4EALDH1A1CYP1A2CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3704094-B1 MODULATORS OF THE INTEGRATED STRESS PATHWAY CALICO LIFE SCIENCES LLC (US) 2026-03-11 EP disclosed
CN-118955475-A Compound for inhibiting tumor cells and application thereof 中国人民解放军军事科学院军事医学研究院 2024-11-15 CN disclosed
US-20240166652-A1 MODULATORS OF THE INTEGRATED STRESS PATHWAY ABBVIE INC. 2024-05-23 US disclosed
US-20230192700-A1 PYRAZOLOPYRAZINES ACTING ON CANCERS VIA INHIBITION OF CDK12 BAYER AKTIENGESELLSCHAFT (DE) 2023-06-22 US disclosed
US-20230192700-A1 PYRAZOLOPYRAZINES ACTING ON CANCERS VIA INHIBITION OF CDK12 BAYER AKTIENGESELLSCHAFT (DE) 2023-06-22 US disclosed
EP-4114837-A1 PYRAZOLOPYRAZINES ACTING ON CANCERS VIA INHIBITION OF CDK12 Bayer Aktiengesellschaft (DE) 2023-01-11 EP disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
WO-2021176049-A1 PYRAZOLOPYRAZINES ACTING ON CANCERS VIA INHIBITION OF CDK12 BAYER AKTIENGESELLSCHAFT (DE) 2021-09-10 WO disclosed
WO-2021176049-A1 PYRAZOLOPYRAZINES ACTING ON CANCERS VIA INHIBITION OF CDK12 BAYER AKTIENGESELLSCHAFT (DE) 2021-09-10 WO disclosed
US-20200361941-A1 MODULATORS OF THE INTEGRATED STRESS PATHWAY ABBVIE INC. 2020-11-19 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 (3 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-20200361941-A1 MODULATORS OF THE INTEGRATED STRESS PATHWAY ATF4, ATF1, DDIT3 KDM4E 4646/4885ALDH1A1 3433/4885CYP1A2 2965/4885
US-20240166652-A1 MODULATORS OF THE INTEGRATED STRESS PATHWAY ATF4, ATF1, DDIT3 KDM4E 4646/4885ALDH1A1 3433/4885CYP1A2 2965/4885
US-20230192700-A1 PYRAZOLOPYRAZINES ACTING ON CANCERS VIA INHIBITION OF CDK12 CDK12, CDK1, CDK15 KDM4E 2532/4885ALDH1A1 4229/4885CYP1A2 602/4885

“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.