SCHEMBL2274451

SCHEMBL2274451

CC(C)c1cc(-c2ccccc2)c(P(C2CCCCC2)C2CCCCC2)c(C(C)C)c1C(C)C

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.46
ALDH1A1 P00352 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
HSP90AA1 P07900 2/20 0.31
HSP90AB1 P08238 1/20 0.30
PTGS2 P35354 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
SCHEMBL30733666 1.00 ROCK2 (0.46) ROCK2ALDH1A1CYP3A4CYP2D6CYP2C9
SCHEMBL15272310 0.85 ROCK2 (0.44) ROCK2ALDH1A1CYP3A4CYP2D6CYP2C9
SCHEMBL31384427 0.79 ROCK2 (0.52) ROCK2
SCHEMBL675878 0.79 ROCK2 (0.52) ROCK2
SCHEMBL21348992 0.76 ROCK2 (0.38) ROCK2ALDH1A1
SCHEMBL17930294 0.73 ROCK2 (0.48) ROCK2
SCHEMBL31152065 0.73 ROCK2 (0.48) ROCK2
SCHEMBL2226101 0.72 ROCK2 (0.39) ROCK2ALDH1A1
SCHEMBL21096900 0.72 ROCK2 (0.51) ROCK2ALDH1A1CYP3A4
SCHEMBL8761366 0.71 HSP90AA1 (0.41) CYP2C9CYP2C19HSP90AA1PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220127248-A1 PREPARATION METHOD FOR MORPHOLINQUINAZOLINE COMPOUND AND MIDBODY THEREOF SHANGHAI YINGLI PHARMACEUTICAL CO., LTD (CN) 2022-04-28 US claimed
EP-2563775-B1 PYRAZOLYL QUINOXALINE KINASE INHIBITORS ASTEX THERAPEUTICS LTD (GB) 2017-01-04 EP claimed
US-12595408-B2 Photochromic compound, naphthol derivative, curable composition, optical article, lens, and eyeglasses TOKUYAMA CORPORATION (JP) 2026-04-07 US disclosed
EP-4692072-A1 PHOTOCHROMIC COMPOUND, PROPARGYL ALCOHOL COMPOUND, CURABLE COMPOSITION, OPTICAL ARTICLE, LENS, AND SPECTACLES TOKUYAMA CORPORATION (JP) 2026-02-11 EP disclosed
US-20250122163-A1 PHOTOCHROMIC COMPOUND, NAPHTHOL DERIVATIVE, CURABLE COMPOSITION, OPTICAL ARTICLE, LENS, AND EYEGLASSES TOKUYAMA CORPORATION (JP) 2025-04-17 US disclosed
US-20250101294-A1 PHOTOCHROMIC COMPOUND, NAPHTHOL DERIVATIVE, CURABLE COMPOSITION, OPTICAL ARTICLE, LENS, AND EYEGLASSES TOKUYAMA CORPORATION (JP) 2025-03-27 US disclosed
WO-2025041624-A1 PHOTOCHROMIC COMPOUND, CURABLE COMPOSITION, OPTICAL ARTICLE, LENS, AND EYEGLASSES 株式会社トクヤマ 2025-02-27 WO disclosed
EP-4471018-A1 PHOTOCHROMIC COMPOUND, NAPHTHOL DERIVATIVE, CURABLE COMPOSITION, OPTICAL ARTICLE, LENS, AND EYEGLASSES TOKUYAMA CORPORATION (JP) 2024-12-04 EP disclosed
EP-4467547-A1 PHOTOCHROMIC COMPOUND, NAPHTHOL DERIVATIVE, CURABLE COMPOSITION, OPTICAL ARTICLE, LENS, AND EYEGLASSES TOKUYAMA CORPORATION (JP) 2024-11-27 EP disclosed
WO-2024202087-A1 PHOTOCHROMIC COMPOUND, PROPARGYL ALCOHOL COMPOUND, CURABLE COMPOSITION, OPTICAL ARTICLE, LENS, AND SPECTACLES 株式会社トクヤマ 2024-10-03 WO disclosed
CN-118574818-A Photochromic compound, naphthol derivative, curable composition, optical article, lens and spectacles 株式会社德山 2024-08-30 CN disclosed
US-20140005183-A1 Novel 4-(Substituted Amino)-7H-Pyrrolo[2,3-d] Pyrimidines As LRRK2 Inhibitors PFIZER (US) 2014-01-02 US disclosed
WO-2013061077-A1 NEW COMPOUNDS ASTEX THERAPEUTICS LIMITED (GB) 2013-05-02 WO disclosed
WO-2013061074-A1 QUINOLINES AS FGFR KINASE MODULATORS ASTEX THERAPEUTICS LIMITED (GB) 2013-05-02 WO disclosed
WO-2013061080-A1 ANTICANCER PYRIDOPYRAZINES VIA THE INHIBITION OF FGFR KINASES ASTEX THERAPEUTICS LIMITED (GB) 2013-05-02 WO disclosed
WO-2013061081-A1 ANTICANCER BENZOPYRAZINES VIA THE INHIBITION OF FGFR KINASES ASTEX THERAPEUTICS LIMITED (GB) 2013-05-02 WO disclosed
US-20130072457-A1 PYRAZOLYL QUINAZOLINE KINASE INHIBITORS ASTEX THERAPEUTICS LIMITED (GB) 2013-03-21 US disclosed
EP-2563775-A1 PYRAZOLYL QUINAZOLINE KINASE INHIBITORS Astex Therapeutics Limited (GB) 2013-03-06 EP disclosed
WO-2011135376-A1 PYRAZOLYL QUINAZOLINE KINASE INHIBITORS ASTEX THERAPEUTICS LIMITED (GB) 2011-11-03 WO disclosed
US-20110190258-A1 ARYL BENZYLAMINE COMPOUNDS NOVARTIS AG (CH) 2011-08-04 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 (7 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-20130072457-A1 PYRAZOLYL QUINAZOLINE KINASE INHIBITORS MAP3K5, MAP3K1, MAP4K2 ROCK2 479/4885ALDH1A1 3640/4885CYP3A4 1293/4885
US-12595408-B2 Photochromic compound, naphthol derivative, curable composition, optical article, lens, and eyeglasses CRYAA, CRYZ, CRY2 ROCK2 2391/4885ALDH1A1 185/4885CYP3A4 1098/4885
US-20250122163-A1 PHOTOCHROMIC COMPOUND, NAPHTHOL DERIVATIVE, CURABLE COMPOSITION, OPTICAL ARTICLE, LENS, AND EYEGLASSES CCNE1, NAP1L1, CRYZ ROCK2 1292/4885ALDH1A1 1010/4885CYP3A4 2008/4885
US-20220127248-A1 PREPARATION METHOD FOR MORPHOLINQUINAZOLINE COMPOUND AND MIDBODY THEREOF MDK, MYLK4, MYL4 ROCK2 208/4885ALDH1A1 4391/4885CYP3A4 802/4885
US-20250101294-A1 PHOTOCHROMIC COMPOUND, NAPHTHOL DERIVATIVE, CURABLE COMPOSITION, OPTICAL ARTICLE, LENS, AND EYEGLASSES NAP1L1, CRYAA, CRYZ ROCK2 2874/4885ALDH1A1 224/4885CYP3A4 2238/4885
US-20110190258-A1 ARYL BENZYLAMINE COMPOUNDS UGT2B7, NAT1, CYP2B6 ROCK2 4514/4885ALDH1A1 1115/4885CYP3A4 12/4885
US-20140005183-A1 Novel 4-(Substituted Amino)-7H-Pyrrolo[2,3-d] Pyrimidines As LRRK2 Inhibitors LRRK2, PARK7, BRCA1 ROCK2 1300/4885ALDH1A1 1441/4885CYP3A4 3461/4885

“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.