SCHEMBL5259120

SCHEMBL5259120

CCN(CC)[C]1CCCCC1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
GFER P55789 1/20 0.36
KMT2A Q03164 1/20 0.36
HPGD P15428 1/20 0.31
ELANE P08246 1/20 0.30

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
SCHEMBL5261086 1.00 ALDH1A1 (0.36) ALDH1A1KDM4EMEN1GFERKMT2A
SCHEMBL1826587 0.97 KDM4E (0.33) ALDH1A1KDM4EMEN1GFERKMT2A
SCHEMBL3372134 0.84
SCHEMBL7274455 0.83 KDM4E (0.32) ALDH1A1KDM4EMEN1GFERKMT2A
SCHEMBL3373140 0.81
SCHEMBL11073647 0.78 CYP2D6 (0.31) ALDH1A1
SCHEMBL3375790 0.78 CNR2 (0.33) KDM4EMEN1KMT2AHPGD
SCHEMBL3376121 0.74 SMN1; SMN2 (0.31) ALDH1A1
SCHEMBL18393768 0.74
SCHEMBL3375956 0.71 TSHR (0.60) ALDH1A1KDM4EKMT2AHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113717156-B EGFR inhibitor, preparation method and application thereof 南京红云生物科技有限公司 2023-05-09 CN claimed
CN-115916759-A Substituted quinazoline compound, preparation method, pharmaceutical composition and application thereof 南京红云生物科技有限公司 2023-04-04 CN claimed
CN-115697996-A Alkenyl pyrimidine compound, preparation method and application thereof 南京红云生物科技有限公司 2023-02-03 CN claimed
US-20220280530-A1 PREVENTION OR TREATMENT OF DISEASES AND DISORDERS ASSOCIATED WITH TISSUE DAMAGE Anhui Newstar Pharmaceutical Development Co., Ltd. (CN) 2022-09-08 US claimed
CN-114728009-A Preventing or treating diseases and disorders associated with tissue damage 李晓祥 2022-07-08 CN claimed
CN-113717156-A EGFR inhibitor, preparation method and application thereof 南京红云生物科技有限公司 2021-11-30 CN claimed
US-10975092-B2 Pyrimidine seven-membered-ring compounds, preparation method therefor, pharmaceutical composition thereof, and uses thereof ANHUI NEW STAR PHARMACEUTICAL DEVELOPMENT CO., LTD. (CN) 2021-04-13 US claimed
WO-2021024141-A1 PREVENTION OR TREATMENT OF DISEASES AND DISORDERS ASSOCIATED WITH TISSUE DAMAGE LI XIAOXIANG (CN) 2021-02-11 WO claimed
US-20200115386-A1 PYRIMIDINE SEVEN-MEMBERED-RING COMPOUNDS, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND USES THEREOF Anhui New Star Pharmaceutical Development Co., Ltd . (CN) 2020-04-16 US claimed
CN-107074866-B Pyrimido-pyrrole compound, preparation method thereof, medicinal composition and application thereof 厦门大学 2019-06-07 CN claimed
EP-1307458-B1 PYRROLOTRIAZOLOPYRIMIDINONE DERIVATIVES ALMIRALL LAB (ES) 2007-10-03 EP claimed
US-7060824-B2 Pyrrolotriazolopyrimidinone derivatives ALMIRALL PRODESFARMA, S.A. (ES) 2006-06-13 US claimed
US-7034016-B2 8-phenyl-6,9-dihydro-[1,2,4]triazolo[3,4-i]purin-5-one derivatives ALMIRALL PRODESFARMA, S.A. (ES) 2006-04-25 US claimed
US-20040019034-A1 Pyrrolotriazolopyrimidinone derivatives VIDAL JUAN BERNAT (ES) 2004-01-29 US claimed
EP-1198464-B1 8-PHENYL-6,9-DIHYDRO-[1,2,4]TRIAZOLO[3,4-i]PURIN-5-ONE DERIVATIVES ALMIRALL PRODESFARMA SA (ES) 2003-10-08 EP claimed
EP-1307458-A1 PYRROLOTRIAZOLOPYRIMIDINONE DERIVATIVES Almirall Prodesfarma, S.A. (ES) 2003-05-07 EP claimed
US-20030060627-A1 8-Phenyl-6, 9-dihydro-[1,2,4] triazolo[3,4-i]purin-5-one derivatives ALMIRALL PRODESFARMA, S.A. (ES) 2003-03-27 US claimed
EP-1198464-A1 8-PHENYL-6,9-DIHYDRO- 1,2,4]TRIAZOLO 3,4- i i /i ]PURIN-5-ONE DERIVATIVES Almirall Prodesfarma, S.A. (ES) 2002-04-24 EP claimed
WO-2002012246-A1 PYRROLOTRIAZOLOPYRIMIDINONE DERIVATIVES ALMIRALL PRODESFARMA S.A. (ES) 2002-02-14 WO claimed
WO-2001007441-A1 8-PHENYL-6,9-DIHYDRO-[1,2,4]TRIAZOLO[3,4-i]PURIN-5-ONE DERIVATIVES ALMIRALL PRODESFARMA S.A. (ES) 2001-02-01 WO claimed

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-20030060627-A1 8-Phenyl-6, 9-dihydro-[1,2,4] triazolo[3,4-i]purin-5-one derivatives HYOU1, CHN2, PURB ALDH1A1 1064/4885KDM4E 4355/4885MEN1 2214/4885
US-20040019034-A1 Pyrrolotriazolopyrimidinone derivatives PDE5A, PDE3A, PDE2A ALDH1A1 966/4885KDM4E 534/4885MEN1 4622/4885
US-10975092-B2 Pyrimidine seven-membered-ring compounds, preparation method therefor, pharmaceutical composition thereof, and uses thereof MST1, STK11, MSTN ALDH1A1 979/4885KDM4E 3393/4885MEN1 2289/4885
US-20200115386-A1 PYRIMIDINE SEVEN-MEMBERED-RING COMPOUNDS, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND USES THEREOF MST1, STK11, MSTN ALDH1A1 979/4885KDM4E 3393/4885MEN1 2289/4885
US-20220280530-A1 PREVENTION OR TREATMENT OF DISEASES AND DISORDERS ASSOCIATED WITH TISSUE DAMAGE MST1, MSTN, MST1R ALDH1A1 3469/4885KDM4E 4200/4885MEN1 1509/4885

“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.