SCHEMBL12401753

SCHEMBL12401753

COc1ncc(Cl)cc1C(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
CYP2C9 P11712 2/20 0.43
TSHR P16473 1/20 0.43
APEX1 P27695 1/20 0.43
MAPK1 P28482 3/20 0.38
HTT P42858 1/20 0.35
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
KDM4E B2RXH2 2/20 0.33
GPBAR1 Q8TDU6 1/20 0.33
ALDH1A1 P00352 1/20 0.33
SQOR Q9Y6N5 1/20 0.33
TP53 P04637 1/20 0.32
CYP3A4 P08684 1/20 0.32
HPGD P15428 1/20 0.32
ALOX15 P16050 1/20 0.32
FFAR4 Q5NUL3 1/20 0.32
MAPT P10636 1/20 0.32
CASP1 P29466 1/20 0.32

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
SCHEMBL24922437 0.78 CA1 (0.48) LMNASMN1; SMN2CA1CA2KDM4E
SCHEMBL25449418 0.78 CA2 (0.39) LMNASMN1; SMN2CYP2C9CA1CA2
SCHEMBL18501252 0.77 ALOX5AP (0.35) LMNACYP2C9CA1CA2GPBAR1
SCHEMBL7055864 0.75 SMN1; SMN2 (0.64) LMNASMN1; SMN2CYP2C9TSHRAPEX1
SCHEMBL10264977 0.75 HTT (0.33) LMNASMN1; SMN2CYP2C9TSHRAPEX1
SCHEMBL9885336 0.74 CYP1A2 (0.42) LMNASMN1; SMN2MAPK1KDM4ECYP3A4
SCHEMBL22949453 0.74 L3MBTL1 (0.33) LMNASMN1; SMN2CYP2C9TSHRAPEX1
SCHEMBL6954046 0.74 SMN1; SMN2 (0.47) LMNASMN1; SMN2CYP2C9TSHRAPEX1
SCHEMBL13145646 0.74 L3MBTL1 (0.33) LMNASMN1; SMN2CYP2C9TSHRAPEX1
SCHEMBL2432983 0.74 SMN1; SMN2 (0.47) LMNASMN1; SMN2CYP2C9TSHRAPEX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230250082-A1 4-ETHYNYLPYRIDINE DERIVATIVES USEFUL AS GCN2 INHIBITORS IP2IPO INNOVATIONS LIMITED (GB) 2023-08-10 US disclosed
US-20230143059-A1 GCN2 MODULATOR COMPOUNDS Alesta Therapeutics BV (NL) 2023-05-11 US disclosed
US-20230143059-A1 GCN2 MODULATOR COMPOUNDS Alesta Therapeutics BV (NL) 2023-05-11 US disclosed
US-9856257-B2 Pyrazolonaphthyridinone derivatives as MetAP2 inhibitors (methionine aminopeptidase type-2) SANOFI (FR) 2018-01-02 US disclosed
US-20160060265-A1 PYRAZOLONAPHTHYRIDINONE DERIVATIVES AS METAP2 INHIBITORS (METHIONINE AMINOPEPTIDASE TYPE-2) SANOFI (FR) 2016-03-03 US disclosed
US-9169246-B2 Pyrazoloquinolinone derivatives, preparation thereof and therapeutic use thereof SANOFI (FR) 2015-10-27 US disclosed
US-20140235616-A1 PYRAZOLOQUINOLINONE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI (FR) 2014-08-21 US disclosed
US-8575208-B2 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-11-05 US disclosed
US-8440706-B2 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-05-14 US disclosed
US-20130079337-A1 PYRAZOLOQUINOLINONE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI (FR) 2013-03-28 US disclosed
US-8372873-B2 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-02-12 US disclosed
US-20110182856-A1 INHIBITORS OF SERINE PROTEASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-28 US disclosed
US-7985762-B2 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-26 US disclosed
US-20110165120-A1 INHIBITORS OF SERINE PROTEASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-07 US disclosed
US-7964624-B1 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-06-21 US disclosed
US-20100272681-A1 Inhibitors of Serine Proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-10-28 US disclosed
US-20100120762-A1 Triazine derivatives as inhibitors of phosphodiesterases WYETH (US) 2010-05-13 US disclosed
US-20070179167-A1 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED 2007-08-02 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 (10 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-20230250082-A1 4-ETHYNYLPYRIDINE DERIVATIVES USEFUL AS GCN2 INHIBITORS EIF2AK4, GCN1, EIF5B LMNA 2905/4885SMN1; SMN2 2267/4885CYP2C9 758/4885
US-20230143059-A1 GCN2 MODULATOR COMPOUNDS EIF2AK4, GPR119, GCN1 LMNA 3603/4885SMN1; SMN2 999/4885CYP2C9 4110/4885
US-20130079337-A1 PYRAZOLOQUINOLINONE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF CYP11B2, COQ8A, CYP1A2 LMNA 2087/4885SMN1; SMN2 1132/4885CYP2C9 104/4885
US-20140235616-A1 PYRAZOLOQUINOLINONE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF CYP11B2, CYP1A2, COQ8A LMNA 2019/4885SMN1; SMN2 1192/4885CYP2C9 110/4885
US-20110165120-A1 INHIBITORS OF SERINE PROTEASES PRSS1, PRSS3, PRSS2 LMNA 2814/4885SMN1; SMN2 2265/4885CYP2C9 1139/4885
US-20070179167-A1 Inhibitors of serine proteases PRSS1, PRSS3, PRSS2 LMNA 2814/4885SMN1; SMN2 2265/4885CYP2C9 1139/4885
US-20100272681-A1 Inhibitors of Serine Proteases SERPINB1, PRSS1, SPINT2 LMNA 1534/4885SMN1; SMN2 2646/4885CYP2C9 2460/4885
US-20160060265-A1 PYRAZOLONAPHTHYRIDINONE DERIVATIVES AS METAP2 INHIBITORS (METHIONINE AMINOPEPTIDASE TYPE-2) METAP2, METAP1, XPNPEP2 LMNA 4623/4885SMN1; SMN2 4003/4885CYP2C9 742/4885
US-20110182856-A1 INHIBITORS OF SERINE PROTEASES PRSS1, SPINT2, PRSS2 LMNA 2850/4885SMN1; SMN2 2156/4885CYP2C9 1014/4885
US-20100120762-A1 Triazine derivatives as inhibitors of phosphodiesterases PDE2A, PDE5A, PDE12 LMNA 4521/4885SMN1; SMN2 3194/4885CYP2C9 925/4885

“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.