SCHEMBL4340447

SCHEMBL4340447

CC1(C)CC(=O)c2ccc(Cl)nc2C1

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.68
ALDH1A1 P00352 7/20 0.61
HTT P42858 1/20 0.61
MAOA P21397 2/20 0.50
MAOB P27338 2/20 0.50
GRM5 P41594 2/20 0.50
GAA P10253 1/20 0.46
KDM4E B2RXH2 2/20 0.45
POLB P06746 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
CYP11B2 P19099 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
HPGD P15428 1/20 0.43

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
SCHEMBL29922403 1.00 CYP2C19 (0.68) CYP2C19ALDH1A1HTTMAOAMAOB
SCHEMBL23649534 0.83 CYP2C19 (0.68) CYP2C19ALDH1A1HTTMAOAMAOB
SCHEMBL29922033 0.83 CYP2C19 (0.68) CYP2C19ALDH1A1HTTMAOAMAOB
SCHEMBL4424070 0.79 CYP2C19 (0.57) CYP2C19ALDH1A1HTTMAOAMAOB
SCHEMBL31668771 0.77 CYP2C19 (0.40) CYP2C19ALDH1A1HTTMAOAMAOB
SCHEMBL4423963 0.77 CYP2C19 (0.64) CYP2C19ALDH1A1HTTMAOAMAOB
SCHEMBL23667545 0.77 CYP2C19 (0.41) CYP2C19ALDH1A1HTTMAOAMAOB
SCHEMBL24097201 0.76 CYP2C19 (0.62) CYP2C19ALDH1A1HTTMAOAMAOB
SCHEMBL11644246 0.74 CYP2C19 (0.60) CYP2C19ALDH1A1HTTMAOAMAOB
SCHEMBL8283812 0.74 PGR (0.55) CYP2C19ALDH1A1HTTMAOAMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12042495-B2 MAP4K1 inhibitors BLUEPRINT MEDICINES CORPORATION (US) 2024-07-23 US disclosed
US-20230140954-A1 MAP4K1 INHIBITORS BLUEPRINT MEDICINES CORPORATION 2023-05-11 US disclosed
US-20230140954-A1 MAP4K1 INHIBITORS BLUEPRINT MEDICINES CORPORATION 2023-05-11 US disclosed
US-20230140954-A1 MAP4K1 INHIBITORS BLUEPRINT MEDICINES CORPORATION 2023-05-11 US disclosed
US-11534441-B2 MAP4K1 inhibitors BLUEPRINT MEDICINES CORPORATION (US) 2022-12-27 US disclosed
US-11534441-B2 MAP4K1 inhibitors BLUEPRINT MEDICINES CORPORATION (US) 2022-12-27 US disclosed
EP-4090663-A1 MAP4K1 INHIBITORS Blueprint Medicines Corporation (US) 2022-11-23 EP disclosed
CN-115279771-A MAP4K1 inhibitors 缆图药品公司 2022-11-01 CN disclosed
US-20220323438-A1 MAP4K1 INHIBITORS BLUEPRINT MEDICINES CORPORATION 2022-10-13 US disclosed
US-20220125780-A1 SUBSTITUTED TETRAHYDROQUINOLINONE COMPOUNDS AS ROR GAMMA MODULATORS AURIGENE ONCOLOGY LIMITED (IN) 2022-04-28 US disclosed
WO-2007023242-A1 TETRAHYDROQUINOLINONES AND THEIR USE AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS MERZ PHARMA GMBH & CO. KGAA (DE) 2007-03-01 WO disclosed
WO-2007023245-A1 TETRAHYDROQUINOLINONES AND THEIR USE AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS MERZ PHARMA GMBH & CO. KGAA (DE) 2007-03-01 WO disclosed
WO-2007023290-A1 TETRAHYDROQUINOLINONES AND THEIR USE AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS MERZ PHARMA GMBH & CO. KGAA (DE) 2007-03-01 WO disclosed
WO-2007023242-A1 TETRAHYDROQUINOLINONES AND THEIR USE AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS MERZ PHARMA GMBH & CO. KGAA (DE) 2007-03-01 WO disclosed
EP-1723116-A2 TETRAHYDROQUINOLINONES AND THEIR USE AS ANTAGONISTS OF METABOTROPIC GLUTAMATE RECEPTORS Merz Pharma GmbH & Co. KGaA (DE) 2006-11-22 EP disclosed
US-20060004001-A1 Tetrahydroquinolones and their use as modulators of metabotropic glutamate receptors MERZ PHARMA GMBH & CO., KGAA (DE) 2006-01-05 US disclosed
US-20050288284-A1 Tetrahydroquinolones and their use as modulators of metabotropic glutamate receptors MERZ PHARMA GMBH & CO. KGAA (DE) 2005-12-29 US disclosed
WO-2005082856-A2 TETRAHYDROQUINOLINONES AND THEIR USE AS ANTAGONISTS OF METABOTROPIC GLUTAMATE RECEPTORS MERZ PHARMA GMBH & CO. KGAA (DE) 2005-09-09 WO disclosed
WO-2005082856-A2 TETRAHYDROQUINOLINONES AND THEIR USE AS ANTAGONISTS OF METABOTROPIC GLUTAMATE RECEPTORS MERZ PHARMA GMBH & CO. KGAA (DE) 2005-09-09 WO disclosed
US-20050197361-A1 Specific binding is extremely high; low toxicity; high degree of activity; 2-(5-m-Tolyl-thiazol-2-yl )-7,8-dihydro-6H-quinolin-5-one, acute and/or chronic neurological disorders MERZ PHARMA GMBH & CO. KGAA (DE) 2005-09-08 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 (8 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-11534441-B2 MAP4K1 inhibitors MAP4K1, MAP4K4, MAP4K2 CYP2C19 4270/4885ALDH1A1 2194/4885HTT 2088/4885
US-20220323438-A1 MAP4K1 INHIBITORS MAP4K1, MAP4K4, MAP4K2 CYP2C19 4270/4885ALDH1A1 2194/4885HTT 2088/4885
US-20060004001-A1 Tetrahydroquinolones and their use as modulators of metabotropic glutamate receptors GRM1, GRM5, GRM2 CYP2C19 2841/4885ALDH1A1 3118/4885HTT 533/4885
US-20050197361-A1 Specific binding is extremely high; low toxicity; high degree of activity; 2-(5-m-Tolyl-thiazol-2-yl )-7,8-dihydro-6H-quinolin-5-one, acute and/or chronic neurological disorders GRM5, GRIK5, GRIN2C CYP2C19 3013/4885ALDH1A1 1519/4885HTT 355/4885
US-20230140954-A1 MAP4K1 INHIBITORS MAP4K1, MAP4K4, MAP4K2 CYP2C19 4270/4885ALDH1A1 2194/4885HTT 2088/4885
US-12042495-B2 MAP4K1 inhibitors MAP4K1, MAP4K4, MAP4K2 CYP2C19 4270/4885ALDH1A1 2194/4885HTT 2088/4885
US-20050288284-A1 Tetrahydroquinolones and their use as modulators of metabotropic glutamate receptors GRM1, GRM5, GRM2 CYP2C19 2683/4885ALDH1A1 3100/4885HTT 519/4885
US-20220125780-A1 SUBSTITUTED TETRAHYDROQUINOLINONE COMPOUNDS AS ROR GAMMA MODULATORS RORC, RORA, RORB CYP2C19 1000/4885ALDH1A1 235/4885HTT 3189/4885

“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.