SCHEMBL6887289

SCHEMBL6887289

COc1ccc(CNN)cc1OC

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.61
ALDH1A1 P00352 3/20 0.61
KDM4E B2RXH2 3/20 0.58
ATM Q13315 2/20 0.58
POLB P06746 4/20 0.57
MAPT P10636 2/20 0.57
GAA P10253 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
CA1 P00915 2/20 0.56
CA9 Q16790 2/20 0.56
KMT2A Q03164 2/20 0.56
CYP19A1 P11511 1/20 0.55
CA12 O43570 1/20 0.54
CA4 P22748 1/20 0.54
SMN1; SMN2 Q16637 3/20 0.53
LMNA P02545 2/20 0.53
MEN1 O00255 1/20 0.53

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
SCHEMBL30454153 1.00 CA2 (0.61) CA2ALDH1A1KDM4EATMPOLB
Hydrochloric Acid SCHEMBL8632897 0.98 ALDH1A1 (0.59) CA2ALDH1A1KDM4EATMPOLB
SCHEMBL29484286 0.83 KDM4E (0.69) CA2ALDH1A1KDM4EATMPOLB
SCHEMBL1599701 0.83 KDM4E (0.69) CA2ALDH1A1KDM4EATMPOLB
SCHEMBL6313682 0.83 TAAR1 (0.64) ALDH1A1KDM4EPOLBMAPTGAA
SCHEMBL11619372 0.83 HTR1A (0.48) CA2ALDH1A1KDM4EATMPOLB
SCHEMBL1034882 0.82 CA2 (0.69) CA2ALDH1A1KDM4EATMPOLB
SCHEMBL31114400 0.82 CA2 (0.69) CA2ALDH1A1KDM4EATMPOLB
SCHEMBL19437107 0.80 CA2 (0.61) CA2ALDH1A1KDM4EATMPOLB
SCHEMBL10428549 0.80 CA2 (0.61) CA2ALDH1A1KDM4EATMPOLB

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12384790-B2 Pteridinone compounds and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2025-08-12 US disclosed
CN-112218865-B Pteridinone compounds and uses thereof 沃泰克斯药物股份有限公司 2024-03-12 CN disclosed
EP-3784669-B1 PTERIDINONE COMPOUNDS AND USES THEREOF VERTEX PHARMA (US) 2023-10-25 EP disclosed
EP-3784669-B1 PTERIDINONE COMPOUNDS AND USES THEREOF VERTEX PHARMA (US) 2023-10-25 EP disclosed
US-20230312587-A1 PTERIDINONE COMPOUNDS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED 2023-10-05 US disclosed
US-20230312587-A1 PTERIDINONE COMPOUNDS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED 2023-10-05 US disclosed
US-20230312587-A1 PTERIDINONE COMPOUNDS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED 2023-10-05 US disclosed
US-11572364-B2 Pteridinone compounds and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-02-07 US disclosed
US-11572364-B2 Pteridinone compounds and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-02-07 US disclosed
US-20220363685-A1 PTERIDINONE COMPOUNDS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED 2022-11-17 US disclosed
US-20190322673-A1 PTERIDINONE COMPOUNDS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED 2019-10-24 US disclosed
US-6803380-B1 NON-STEROIDAL ANTIINFLAMMATORY DRUGS LABORATOIRE THERAMEX (MC) 2004-10-12 US disclosed
EP-1246809-B1 5-ARYL-1H-1,2,4-TRIAZOLE COMPOUNDS AS INHIBITORS OF CYCLOOXYGENASE-2 AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM THERAMEX (MC) 2003-07-16 EP disclosed
EP-1246809-A1 5-ARYL-1H-1,2,4-TRIAZOLE COMPOUNDS AS INHIBITORS OF CYCLOOXYGENASE-2 AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM LABORATOIRE THERAMEX (MC) 2002-10-09 EP disclosed
WO-2001034577-A1 5-ARYL-1H-1,2,4-TRIAZOLE COMPOUNDS AS INHIBITORS OF CYCLOOXYGENASE-2 AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM LABORATOIRE THERAMEX (MC) 2001-05-17 WO disclosed
EP-1099695-A1 5-aryl-1H-1,2,4-triazole compounds as inhibitors of cyclooxygenase-2 and pharmaceutical compositions containing them LABORATOIRE THERAMEX S.A. (MC) 2001-05-16 EP disclosed
CN-1227555-A Cytokine production inhibitors triazepine compounds, and intermediates thereof JAPAN TOBACCO INC (JP) 1999-09-01 CN disclosed
US-4076943-A DIURETICS, SALURETICS, ANTIHYPERTENSIVES BAYER AKTIENGESELLSCHAFT (DT) 1978-02-28 US disclosed
US-4061653-A DIURETIC, SALURETIC, ANTIHYPERTENSIVE BAYER AKTIENGESELLSCHAFT (DT) 1977-12-06 US disclosed
US-3950528-A HYPOTENSIVE AGENTS, SALURETICS, DIURETICS BAYER AKTIENGESELLSCHAFT (DT) 1976-04-13 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 (5 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-11572364-B2 Pteridinone compounds and uses thereof DPYD, PKD1, TYMP CA2 4030/4885ALDH1A1 569/4885KDM4E 730/4885
US-20190322673-A1 PTERIDINONE COMPOUNDS AND USES THEREOF DPYD, PKD1, TYMP CA2 4030/4885ALDH1A1 569/4885KDM4E 730/4885
US-20220363685-A1 PTERIDINONE COMPOUNDS AND USES THEREOF DPYD, PKD1, TYMP CA2 4030/4885ALDH1A1 569/4885KDM4E 730/4885
US-20230312587-A1 PTERIDINONE COMPOUNDS AND USES THEREOF DPYD, PKD1, TYMP CA2 4030/4885ALDH1A1 569/4885KDM4E 730/4885
US-12384790-B2 Pteridinone compounds and uses thereof DPYD, PKD1, TYMP CA2 4030/4885ALDH1A1 569/4885KDM4E 730/4885

“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.