SCHEMBL21801602

SCHEMBL21801602

c1ccc2c(c1)CC1=C2c2ccccc2C1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.50
SETD7 Q8WTS6 2/20 0.48
CES1 P23141 2/20 0.46
BCHE P06276 1/20 0.46
ALDH1A1 P00352 4/20 0.41
LMNA P02545 2/20 0.41
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TDP2 O95551 1/20 0.41
CASP3 P42574 1/20 0.41
CASP7 P55210 1/20 0.41
CASP9 P55211 1/20 0.41
CASP6 P55212 1/20 0.41
CASP8 Q14790 1/20 0.41
MAP3K14 Q99558 1/20 0.41
HRH1 P35367 2/20 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
SCHEMBL28907906 0.82 MAOA (0.62) MAOASETD7CES1BCHEALDH1A1
SCHEMBL7940145 0.82 CES1 (0.57) MAOACES1BCHEALDH1A1LMNA
SCHEMBL21801644 0.82 ALDH1A1 (0.39) MAOASETD7CES1BCHEALDH1A1
Fluorene SCHEMBL2432881 0.79 MAOA (0.65) MAOACES1BCHEALDH1A1LMNA
SCHEMBL24262482 0.78 SETD7 (0.34) MAOASETD7CES1BCHEALDH1A1
SCHEMBL1011079 0.76 PDK2 (0.37) MAOASETD7CES1BCHEALDH1A1
Fluorene SCHEMBL8180 0.76 MAOA (0.68) MAOACES1BCHEALDH1A1LMNA
Fluorene SCHEMBL31388525 0.76 MAOA (0.68) MAOACES1BCHEALDH1A1LMNA
Fluorene SCHEMBL29355380 0.76 MAOA (0.68) MAOACES1BCHEALDH1A1LMNA
Fluorene SCHEMBL29478468 0.76 MAOA (0.68) MAOACES1BCHEALDH1A1LMNA

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-12037333-B2 Pyridopyrazine and pyridotriazine inhibitors of influenza virus replication COCRYSTAL PHARMA, INC. (US) 2024-07-16 US disclosed
EP-3849978-B1 PYRIDOPYRAZINE AND PYRIDOTRIAZINE INHIBITORS OF INFLUENZA VIRUS REPLICATION COCRYSTAL PHARMA INC (US) 2022-11-02 EP disclosed
US-20220056024-A1 PYRIDOPYRAZINE AND PYRIDOTRIAZINE INHIBITORS OF INFLUENZA VIRUS REPLICATION MERCK SHARP & DOHME LLC 2022-02-24 US disclosed
EP-3849978-A1 PYRIDOPYRAZINE AND PYRIDOTRIAZINE INHIBITORS OF INFLUENZA VIRUS REPLICATION Cocrystal Pharma, Inc. (US) 2021-07-21 EP disclosed
WO-2020055858-A1 PYRIDOPYRAZINE AND PYRIDOTRIAZINE INHIBITORS OF INFLUENZA VIRUS REPLICATION COCRYSTAL PHARMA, INC. (US) 2020-03-19 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 (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-20220056024-A1 PYRIDOPYRAZINE AND PYRIDOTRIAZINE INHIBITORS OF INFLUENZA VIRUS REPLICATION PLPBP, EIF2AK2, TYMP MAOA 1016/4885SETD7 3672/4885CES1 3869/4885
US-12037333-B2 Pyridopyrazine and pyridotriazine inhibitors of influenza virus replication PLPBP, EIF2AK2, TYMP MAOA 1016/4885SETD7 3672/4885CES1 3869/4885

“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.