SCHEMBL142976

SCHEMBL142976

NC(=S)Nc1ccc(F)c(F)c1F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.50
KMT2A Q03164 2/20 0.49
EPHX2 P34913 6/20 0.47
ALDH1A1 P00352 3/20 0.47
KDM4E B2RXH2 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MEN1 O00255 1/20 0.47
CYP1A2 P05177 1/20 0.47
POLB P06746 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
HPGD P15428 1/20 0.47
ALOX12 P18054 1/20 0.47
CYP2C19 P33261 1/20 0.47
CA12 O43570 2/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA9 Q16790 2/20 0.44
TAS1R3 Q7RTX0 1/20 0.42
TAS1R1 Q7RTX1 1/20 0.42

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
SCHEMBL29611630 1.00 LMNA (0.50) LMNAKMT2AEPHX2ALDH1A1KDM4E
SCHEMBL10712606 0.83 ALDH1A1 (0.63) LMNAKMT2AEPHX2ALDH1A1KDM4E
SCHEMBL34472041 0.82 L3MBTL1 (0.47) LMNAKMT2AEPHX2ALDH1A1KDM4E
SCHEMBL29838495 0.82 L3MBTL1 (0.50) KMT2AALDH1A1KDM4ESMN1; SMN2MEN1
SCHEMBL5464387 0.82 L3MBTL1 (0.50) KMT2AALDH1A1KDM4ESMN1; SMN2MEN1
SCHEMBL30521352 0.80 L3MBTL1 (0.53) LMNAKMT2AALDH1A1KDM4ESMN1; SMN2
SCHEMBL28130105 0.80 LMNA (0.55) LMNAKMT2AEPHX2ALDH1A1KDM4E
SCHEMBL17856110 0.80 L3MBTL1 (0.53) LMNAKMT2AALDH1A1KDM4ESMN1; SMN2
SCHEMBL15215634 0.79 ALDH1A1 (0.47) LMNAKMT2AEPHX2ALDH1A1KDM4E
SCHEMBL20560664 0.79 EPHX2 (0.51) LMNAKMT2AEPHX2ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3867251-B1 KRAS G12C INHIBITORS LILLY CO ELI (US) 2022-09-07 EP disclosed
CN-112805281-B KRAS G12C inhibitors 伊莱利利公司 2022-05-10 CN disclosed
CN-112805281-A KRAS G12C inhibitors 伊莱利利公司 2021-05-14 CN disclosed
US-10968214-B2 KRas G12C inhibitors ELI LILLY AND COMPANY (US) 2021-04-06 US disclosed
US-10968214-B2 KRas G12C inhibitors ELI LILLY AND COMPANY (US) 2021-04-06 US disclosed
WO-2020081282-A1 KRAS G12C INHIBITORS ELI LILLY AND COMPANY (US) 2020-04-23 WO disclosed
WO-2020081282-A1 KRAS G12C INHIBITORS ELI LILLY AND COMPANY (US) 2020-04-23 WO disclosed
US-20200115375-A1 KRAS G12C INHIBITORS ELI LILLY AND COMPANY 2020-04-16 US disclosed
US-10385069-B2 Imidazo[2,1-B]thiazole and 5,6-dihydroimidazo[2,1-B]thiazole derivatives useful as S100-inhibitors ACTIVE BIOTECH AB (SE) 2019-08-20 US disclosed
US-20180282348-A1 IMIDAZO[2,1-B]THIAZOLE AND 5,6-DIHYDROIMIDAZO[2,1-B]THIAZOLE DERIVATIVES USEFUL AS S100-INHIBITORS ACTIVE BIOTECH AB (SE) 2018-10-04 US disclosed
CN-107466296-A Imidazo [2,1 b] thiazole and 5,6 glyoxalidine as S100 inhibitor simultaneously [2,1 b] thiazole 活跃生物技术有限公司 2017-12-12 CN disclosed
WO-2016042172-A1 IMIDAZO[2,1-B]THIAZOLE AND 5,6-DIHYDROIMIDAZO[2,1-B]THIAZOLE DERIVATIVES USEFUL AS S100-INHIBITORS ACTIVE BIOTECH AB (SE) 2016-03-24 WO disclosed
US-20120059163-A1 Non-linear opticaly active molecules, their synthesis, and use OPTIMER PHOTONICS, INC. (US) 2012-03-08 US disclosed
US-20080004415-A1 Non-linear optically active molecules, their synthesis, and use OPTIMER PHOTONICS, INC. (US) 2008-01-03 US disclosed
US-20070010671-A1 Novel quinazoline derivatives and methods of treatment related to the use thereof ARENA PHARMACEUTICALS, INC. 2007-01-11 US disclosed
EP-1467981-A1 4(HETERO-) ARYL SUBSTITUTED (THIA-/OXA-/PYRA) ZOLES FOR INHIBITION OF TIE-2 Kylix Pharmaceuticals B.V. (NL) 2004-10-20 EP disclosed
WO-2003062215-A1 4(HETERO-) ARYL SUBSTITUTED (THIA-/OXA-/PYRA) ZOLES FOR INHIBITION OF TIE-2 KYLIX PHARMACEUTICALS B.V. (NL) 2003-07-31 WO disclosed
US-4713382-A N-phenyl-4-phenyl-1-piperazinecarboxamidines and related compounds as antiarrhythmic agents SYNTEX (U.S.A.) INC. (US) 1987-12-15 US disclosed
EP-0204265-A1 N-Phenyl-4-phenyl-1-piperazine carboxamidines and related compounds as antiarrhythmic agents LABORATOIRES SYNTEX S.A. (FR) 1986-12-10 EP 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-20180282348-A1 IMIDAZO[2,1-B]THIAZOLE AND 5,6-DIHYDROIMIDAZO[2,1-B]THIAZOLE DERIVATIVES USEFUL AS S100-INHIBITORS S100B, S100P, S100A4 LMNA 4388/4885KMT2A 2868/4885EPHX2 3370/4885
US-20200115375-A1 KRAS G12C INHIBITORS KRAS, NRAS, HRAS LMNA 3026/4885KMT2A 1574/4885EPHX2 2857/4885
US-10385069-B2 Imidazo[2,1-B]thiazole and 5,6-dihydroimidazo[2,1-B]thiazole derivatives useful as S100-inhibitors S100B, S100P, S100A4 LMNA 4388/4885KMT2A 2868/4885EPHX2 3370/4885
US-20070010671-A1 Novel quinazoline derivatives and methods of treatment related to the use thereof MCHR1, GPR119, MCHR2 LMNA 2932/4885KMT2A 792/4885EPHX2 3017/4885
US-10968214-B2 KRas G12C inhibitors KRAS, NRAS, HRAS LMNA 3026/4885KMT2A 1574/4885EPHX2 2857/4885
US-20120059163-A1 Non-linear opticaly active molecules, their synthesis, and use INCENP, CYBA, ADCY5 LMNA 493/4885KMT2A 3041/4885EPHX2 386/4885
US-20080004415-A1 Non-linear optically active molecules, their synthesis, and use INCENP, CYBA, PAICS LMNA 289/4885KMT2A 2961/4885EPHX2 649/4885

“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.