SCHEMBL5848830

SCHEMBL5848830

CCOC(=O)c1cc2n(n1)CCO2

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.41
PIK3CA P42336 1/20 0.40
JMJD6 Q6NYC1 1/20 0.40
ALDH1A1 P00352 2/20 0.39
KMT2A Q03164 3/20 0.39
GAA P10253 1/20 0.39
NPC1 O15118 4/20 0.39
RAB9A P51151 4/20 0.39
KDM4E B2RXH2 3/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
RXFP1 Q9HBX9 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
PDK1 Q15118 1/20 0.37
PDK2 Q15119 1/20 0.37
CLK1 P49759 1/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL3548683 0.92 NPC1 (0.39) CYP1A2PIK3CAALDH1A1KMT2AGAA
SCHEMBL23645428 0.91 RAB9A (0.41) CYP1A2PIK3CAALDH1A1KMT2AGAA
SCHEMBL13118705 0.85 CYP1A2 (0.42) CYP1A2ALDH1A1KMT2AGAANPC1
SCHEMBL22275584 0.84 ALDH1A1 (0.40) CYP1A2ALDH1A1KMT2AKDM4ESMN1; SMN2
SCHEMBL23645356 0.82 FAAH (0.39) CYP1A2PIK3CAJMJD6ALDH1A1KMT2A
SCHEMBL3551607 0.79 PIK3CA (0.44) CYP1A2PIK3CAALDH1A1KMT2AGAA
SCHEMBL19299941 0.79 KMT2A (0.41) CYP1A2PIK3CAJMJD6ALDH1A1KMT2A
SCHEMBL19284267 0.78 KMT2A (0.40) CYP1A2ALDH1A1KMT2AGAAKDM4E
SCHEMBL19299890 0.78 KMT2A (0.40) CYP1A2ALDH1A1KMT2AGAAKDM4E
SCHEMBL19284286 0.78 KMT2A (0.38) CYP1A2ALDH1A1KMT2AGAAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120166987-A Phthalazine derivatives as pyruvate kinase modulators 西特瑞治疗有限公司 2025-06-17 CN disclosed
CN-119954831-A Pyrimidopyrazoles, preparation method and medical application thereof 江苏恒瑞医药股份有限公司 2025-05-09 CN disclosed
CN-115873000-B Isoquinolinones and quinazolinones compounds, and composition and application thereof 中山医诺维申新药研发有限公司 2025-02-28 CN disclosed
CN-118317951-A Phthalazine derivatives as pyruvate kinase modulators 西特瑞治疗有限公司 2024-07-09 CN disclosed
US-20230270751-A1 BENZODIAZEPINE DERIVATIVES USEFUL IN TREATING A RESPIRATORY SYNCYTIAL VIRUS INFECTION PFIZER INC. 2023-08-31 US disclosed
US-20230270751-A1 BENZODIAZEPINE DERIVATIVES USEFUL IN TREATING A RESPIRATORY SYNCYTIAL VIRUS INFECTION PFIZER INC. 2023-08-31 US disclosed
WO-2023079294-A1 PHTHALAZINE DERIVATIVES AS PYRUVATE KINASE MODULATORS SITRYX THERAPEUTICS LIMITED (GB) 2023-05-11 WO disclosed
CN-116075516-A Benzodiazepine derivatives useful for the treatment of respiratory syncytial virus infection 辉瑞大药厂 2023-05-05 CN disclosed
CN-115873000-A Isoquinolone and quinazolinone compounds, and composition and application thereof 中山医诺维申新药研发有限公司 2023-03-31 CN disclosed
CN-113429410-B Polyheterocyclic substituted pyrimidine or pyridylamine derivatives, compositions and medical uses thereof 上海海雁医药科技有限公司 2022-10-04 CN disclosed
WO-2022008911-A1 BENZODIAZEPINE DERIVATIVES USEFUL IN TREATING A RESPIRATORY SYNCYTIAL VIRUS INFECTION ReViral Limited (GB) 2022-01-13 WO disclosed
CN-113429410-A Polyheterocyclic substituted pyrimidine or pyridylamine derivatives, compositions and medical uses thereof 上海海雁医药科技有限公司 2021-09-24 CN disclosed
US-7112582-B2 Bicyclic 6-alkylidene-penems as β-lactamase inhibitors WYETH (US) 2006-09-26 US disclosed
US-20040077622-A1 Bicyclic 5-alkylidene-penems as beta lactamases inhibitors WYETH 2004-04-22 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-20230270751-A1 BENZODIAZEPINE DERIVATIVES USEFUL IN TREATING A RESPIRATORY SYNCYTIAL VIRUS INFECTION CNR1, CNR2, SIGMAR1 CYP1A2 389/4885PIK3CA 4608/4885JMJD6 3784/4885
US-20040077622-A1 Bicyclic 5-alkylidene-penems as beta lactamases inhibitors PGLS, BPGM, B2M CYP1A2 106/4885PIK3CA 990/4885JMJD6 578/4885

“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.